(2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate

C11H15ClN2O2S — CID 1479743

IUPAC(2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1cnc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S/c12-10-13-6-9(17-10)7-16-11(15)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,15)
InChIKeySZKUAXZCZMUSKE-UHFFFAOYSA-N
MW274.77 g/mol
LogP3.36
Rot. Bonds3

About (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate

(2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate (PubChem CID 1479743) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate
PubChem CID1479743
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name(2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1cnc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S/c12-10-13-6-9(17-10)7-16-11(15)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,15)
InChIKeySZKUAXZCZMUSKE-UHFFFAOYSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-thiazol-5-ylmethyl N-propylcarbamate
CID 58416919
1,3-thiazol-5-ylmethyl N-(2-aminochloranuidylethyl)carbamate
CID 58416975
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate
CID 59721266
1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate
CID 59721291
1,3-thiazol-5-ylmethyl N-[(2S,5S)-5-aminohexan-2-yl]carbamate
CID 59721326
1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate
CID 59721350
1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate
CID 59784063
(2-tert-butyl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate
CID 60025350
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride
CID 67394505
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
CID 67394506
1,3-thiazol-5-ylmethyl N-[(4S)-4-aminopentyl]carbamate
CID 68166314
1,3-thiazol-5-ylmethyl N-[(4S)-4-aminohexyl]carbamate
CID 68166315

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate (CID 1479743) is (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCc1cnc(Cl)s1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate?
The InChIKey is SZKUAXZCZMUSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-10-13-6-9(17-10)7-16-11(15)14-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,15).
What are the key properties of (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate?
(2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate has a molecular weight of 274.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate is sourced from PubChem (CID 1479743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).