3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole

C10H12ClNS — CID 150320287

IUPAC3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole
SMILESCC1CC=C(c2cc(Cl)ns2)CC1
InChIInChI=1S/C10H12ClNS/c1-7-2-4-8(5-3-7)9-6-10(11)12-13-9/h4,6-7H,2-3,5H2,1H3
InChIKeyGNMGOLANJBSSHV-UHFFFAOYSA-N
MW213.73 g/mol
LogP4.00
Rot. Bonds1

About 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole

3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole (PubChem CID 150320287) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole
PubChem CID150320287
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole
SMILESCC1CC=C(c2cc(Cl)ns2)CC1
InChIInChI=1S/C10H12ClNS/c1-7-2-4-8(5-3-7)9-6-10(11)12-13-9/h4,6-7H,2-3,5H2,1H3
InChIKeyGNMGOLANJBSSHV-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole?
The IUPAC name of 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole (CID 150320287) is 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole.
What is the SMILES notation for 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole?
The canonical SMILES for 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole is CC1CC=C(c2cc(Cl)ns2)CC1.
What is the InChIKey of 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole?
The InChIKey is GNMGOLANJBSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-7-2-4-8(5-3-7)9-6-10(11)12-13-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole?
3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole has a molecular weight of 213.73 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole is sourced from PubChem (CID 150320287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).