5-butyl-2-propan-2-yl-1,3-thiazole

C10H17NS — CID 67548317

IUPAC5-butyl-2-propan-2-yl-1,3-thiazole
SMILESCCCCc1cnc(C(C)C)s1
InChIInChI=1S/C10H17NS/c1-4-5-6-9-7-11-10(12-9)8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyBUQNEBBMARCFGE-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.61
Rot. Bonds4

About 5-butyl-2-propan-2-yl-1,3-thiazole

5-butyl-2-propan-2-yl-1,3-thiazole (PubChem CID 67548317) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-butyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-butyl-2-propan-2-yl-1,3-thiazole
PubChem CID67548317
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-butyl-2-propan-2-yl-1,3-thiazole
SMILESCCCCc1cnc(C(C)C)s1
InChIInChI=1S/C10H17NS/c1-4-5-6-9-7-11-10(12-9)8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyBUQNEBBMARCFGE-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-butyl-2-propan-2-yl-1,3-thiazole (CID 67548317) is 5-butyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-butyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-butyl-2-propan-2-yl-1,3-thiazole is CCCCc1cnc(C(C)C)s1.
What is the InChIKey of 5-butyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is BUQNEBBMARCFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-5-6-9-7-11-10(12-9)8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-butyl-2-propan-2-yl-1,3-thiazole?
5-butyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 67548317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).