(1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate

C11H15ClN2O2S — CID 174481198

IUPAC(1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate
SMILESCC1(OC(=O)Nc2cnc(Cl)s2)CCCCC1
InChIInChI=1S/C11H15ClN2O2S/c1-11(5-3-2-4-6-11)16-10(15)14-8-7-13-9(12)17-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyCGUVPKNFAYQJAH-UHFFFAOYSA-N
MW274.77 g/mol
LogP4.07
Rot. Bonds2

About (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate

(1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate (PubChem CID 174481198) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Name(1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate
PubChem CID174481198
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name(1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate
SMILESCC1(OC(=O)Nc2cnc(Cl)s2)CCCCC1
InChIInChI=1S/C11H15ClN2O2S/c1-11(5-3-2-4-6-11)16-10(15)14-8-7-13-9(12)17-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyCGUVPKNFAYQJAH-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate?
The IUPAC name of (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate (CID 174481198) is (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate is CC1(OC(=O)Nc2cnc(Cl)s2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate?
The InChIKey is CGUVPKNFAYQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-11(5-3-2-4-6-11)16-10(15)14-8-7-13-9(12)17-8/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate?
(1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate has a molecular weight of 274.77 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) N-(2-chloro-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 174481198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).