5-methyl-4-propan-2-yl-1,3-thiazole

C7H11NS — CID 45121704

IUPAC5-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1scnc1C(C)C
InChIInChI=1S/C7H11NS/c1-5(2)7-6(3)9-4-8-7/h4-5H,1-3H3
InChIKeyKSILGMOBWDKRIZ-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.57
Rot. Bonds1

About 5-methyl-4-propan-2-yl-1,3-thiazole

5-methyl-4-propan-2-yl-1,3-thiazole (PubChem CID 45121704) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1,3-thiazole
PubChem CID45121704
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name5-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1scnc1C(C)C
InChIInChI=1S/C7H11NS/c1-5(2)7-6(3)9-4-8-7/h4-5H,1-3H3
InChIKeyKSILGMOBWDKRIZ-UHFFFAOYSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-propan-2-yl-1,3-thiazole
CID 138494786
5-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 59589368
2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde
CID 173233497
4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 13015604
2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82433495
3-hydroxy-3-(5-methyl-1,3-thiazol-4-yl)propanoic acid
CID 82405482
(R)-(3-chlorophenyl)-(5-methyl-1,3-thiazol-4-yl)methanol
CID 175804483
7-methyl-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 139376342
4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 76850460
5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433506
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
N,5-dimethyl-1,3-thiazol-4-amine
CID 135126975

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-propan-2-yl-1,3-thiazole (CID 45121704) is 5-methyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-propan-2-yl-1,3-thiazole is Cc1scnc1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is KSILGMOBWDKRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-5(2)7-6(3)9-4-8-7/h4-5H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-1,3-thiazole?
5-methyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 45121704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).