2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole

C13H14ClNS — CID 62923597

IUPAC2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2csc(CCl)n2)cc1
InChIInChI=1S/C13H14ClNS/c1-2-3-10-4-6-11(7-5-10)12-9-16-13(8-14)15-12/h4-7,9H,2-3,8H2,1H3
InChIKeyVQZSIILSUUSQJU-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.50
Rot. Bonds4

About 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole

2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole (PubChem CID 62923597) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
PubChem CID62923597
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2csc(CCl)n2)cc1
InChIInChI=1S/C13H14ClNS/c1-2-3-10-4-6-11(7-5-10)12-9-16-13(8-14)15-12/h4-7,9H,2-3,8H2,1H3
InChIKeyVQZSIILSUUSQJU-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.50
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-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849
2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 95464853
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
CID 82117610
4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
CID 82124733
1-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967625
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole (CID 62923597) is 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole is CCCc1ccc(-c2csc(CCl)n2)cc1.
What is the InChIKey of 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole?
The InChIKey is VQZSIILSUUSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-2-3-10-4-6-11(7-5-10)12-9-16-13(8-14)15-12/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole?
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole has a molecular weight of 251.78 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole is sourced from PubChem (CID 62923597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).