2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C50H96N8S4 — CID 162066395

IUPAC2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2c(s1)CNCC2.c1nc2c(s1)CCNC2.c1nc2c(s1)CNCC2
InChIInChI=1S/2C10H16N2S.2C6H8N2S.2C5H12.4C2H6/c1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;2*1-5(2,3)4;4*1-2/h2*11H,4-6H2,1-3H3;2*4,7H,1-3H2;2*1-4H3;4*1-2H3
InChIKeyZAMYDJYAKBKRQI-UHFFFAOYSA-N
MW937.64 g/mol
LogP13.96
Rot. Bonds

About 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 162066395) has the molecular formula C50H96N8S4 and a molecular weight of 937.64 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID162066395
Molecular FormulaC50H96N8S4
Molecular Weight937.64 g/mol
Exact Mass936.66
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2c(s1)CNCC2.c1nc2c(s1)CCNC2.c1nc2c(s1)CNCC2
InChIInChI=1S/2C10H16N2S.2C6H8N2S.2C5H12.4C2H6/c1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;2*1-5(2,3)4;4*1-2/h2*11H,4-6H2,1-3H3;2*4,7H,1-3H2;2*1-4H3;4*1-2H3
InChIKeyZAMYDJYAKBKRQI-UHFFFAOYSA-N
XLogP13.96
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.64
LogP ≤ 513.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 162066395) is 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2c(s1)CNCC2.c1nc2c(s1)CCNC2.c1nc2c(s1)CNCC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is ZAMYDJYAKBKRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2S.2C6H8N2S.2C5H12.4C2H6/c1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;2*1-5(2,3)4;4*1-2/h2*11H,4-6H2,1-3H3;2*4,7H,1-3H2;2*1-4H3;4*1-2H3.
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 937.64 g/mol, XLogP of 13.96, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;bis(2,2-dimethylpropane);ethane;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 162066395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).