5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole

C9H8ClNS2 — CID 82081726

IUPAC5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)sc1CCl
InChIInChI=1S/C9H8ClNS2/c1-6-8(5-10)13-9(11-6)7-3-2-4-12-7/h2-4H,5H2,1H3
InChIKeyJWAACQIJQYWMFP-UHFFFAOYSA-N
MW229.76 g/mol
LogP3.92
Rot. Bonds2

About 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole

5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 82081726) has the molecular formula C9H8ClNS2 and a molecular weight of 229.76 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID82081726
Molecular FormulaC9H8ClNS2
Molecular Weight229.76 g/mol
Exact Mass228.98
IUPAC Name5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)sc1CCl
InChIInChI=1S/C9H8ClNS2/c1-6-8(5-10)13-9(11-6)7-3-2-4-12-7/h2-4H,5H2,1H3
InChIKeyJWAACQIJQYWMFP-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.76
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine
CID 116884857
5-(2-chloroethyl)-2,4-dithiophen-2-yl-1,3-thiazole
CID 28709881
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride
CID 82093836
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
5-methoxy-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 116887500
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 82084790
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546926
1-(3,5-dichlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546969
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole (CID 82081726) is 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole is Cc1nc(-c2cccs2)sc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is JWAACQIJQYWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS2/c1-6-8(5-10)13-9(11-6)7-3-2-4-12-7/h2-4H,5H2,1H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole?
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 229.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 82081726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).