2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole

C14H16ClNS — CID 116867853

IUPAC2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1ccc(C(C)C)cc1-c1csc(CCl)n1
InChIInChI=1S/C14H16ClNS/c1-9(2)11-5-4-10(3)12(6-11)13-8-17-14(7-15)16-13/h4-6,8-9H,7H2,1-3H3
InChIKeyCYHRXPSNVCHJFQ-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.98
Rot. Bonds3

About 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole

2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 116867853) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
PubChem CID116867853
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1ccc(C(C)C)cc1-c1csc(CCl)n1
InChIInChI=1S/C14H16ClNS/c1-9(2)11-5-4-10(3)12(6-11)13-8-17-14(7-15)16-13/h4-6,8-9H,7H2,1-3H3
InChIKeyCYHRXPSNVCHJFQ-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867576
4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116892221
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081
2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole
CID 116965567
4-(2-ethoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 5091482
1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine
CID 116897584
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanol
CID 116893839

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole (CID 116867853) is 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole is Cc1ccc(C(C)C)cc1-c1csc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is CYHRXPSNVCHJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9(2)11-5-4-10(3)12(6-11)13-8-17-14(7-15)16-13/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 265.81 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 116867853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).