4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole

C10H19NS — CID 164786439

IUPAC4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)N1CSC=C1C(C)(C)C
InChIInChI=1S/C10H19NS/c1-8(2)11-7-12-6-9(11)10(3,4)5/h6,8H,7H2,1-5H3
InChIKeyMRGKSAJWJSKGTK-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.29
Rot. Bonds1

About 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole

4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole (PubChem CID 164786439) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole
PubChem CID164786439
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)N1CSC=C1C(C)(C)C
InChIInChI=1S/C10H19NS/c1-8(2)11-7-12-6-9(11)10(3,4)5/h6,8H,7H2,1-5H3
InChIKeyMRGKSAJWJSKGTK-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole (CID 164786439) is 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole is CC(C)N1CSC=C1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole?
The InChIKey is MRGKSAJWJSKGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)11-7-12-6-9(11)10(3,4)5/h6,8H,7H2,1-5H3.
What are the key properties of 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole?
4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole has a molecular weight of 185.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 164786439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).