4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole

C8H10ClNS — CID 169267593

IUPAC4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole
SMILESCC(Cl)c1csc(C2CC2)n1
InChIInChI=1S/C8H10ClNS/c1-5(9)7-4-11-8(10-7)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyUQHHBSZXLVXDCN-UHFFFAOYSA-N
MW187.70 g/mol
LogP3.32
Rot. Bonds2

About 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole

4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole (PubChem CID 169267593) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole
PubChem CID169267593
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC Name4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole
SMILESCC(Cl)c1csc(C2CC2)n1
InChIInChI=1S/C8H10ClNS/c1-5(9)7-4-11-8(10-7)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyUQHHBSZXLVXDCN-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 53.32
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

1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
2-bromo-4-(1-chloroethyl)-1,3-thiazole
CID 119090615
1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115087846
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889217
2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 65424819
2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 116891617
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
3-methyl-2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]butanenitrile
CID 116891546
4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine
CID 116965480
N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65415825
methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate
CID 116891448
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole?
The IUPAC name of 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole (CID 169267593) is 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole.
What is the SMILES notation for 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole?
The canonical SMILES for 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole is CC(Cl)c1csc(C2CC2)n1.
What is the InChIKey of 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole?
The InChIKey is UQHHBSZXLVXDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-5(9)7-4-11-8(10-7)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole?
4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole has a molecular weight of 187.70 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole is sourced from PubChem (CID 169267593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).