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

C8H10ClNOS — CID 139754280

IUPAC2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride
SMILESCc1nc(C(C)C)c(C(=O)Cl)s1
InChIInChI=1S/C8H10ClNOS/c1-4(2)6-7(8(9)11)12-5(3)10-6/h4H,1-3H3
InChIKeyKYHHEDQTGQJHIQ-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.95
Rot. Bonds2

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

2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride (PubChem CID 139754280) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride
PubChem CID139754280
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride
SMILESCc1nc(C(C)C)c(C(=O)Cl)s1
InChIInChI=1S/C8H10ClNOS/c1-4(2)6-7(8(9)11)12-5(3)10-6/h4H,1-3H3
InChIKeyKYHHEDQTGQJHIQ-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 75489540
4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738197
2-methyl-4-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110676464
(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
CID 23560686
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110676453
ethyl 2-[(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 75357207
ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate
CID 110676451
N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 82433530
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
CID 82435157
2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one
CID 59718727
2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride?
The IUPAC name of 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride (CID 139754280) is 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride.
What is the SMILES notation for 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride?
The canonical SMILES for 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride is Cc1nc(C(C)C)c(C(=O)Cl)s1.
What is the InChIKey of 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride?
The InChIKey is KYHHEDQTGQJHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-4(2)6-7(8(9)11)12-5(3)10-6/h4H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride?
2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride has a molecular weight of 203.69 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride is sourced from PubChem (CID 139754280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).