N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide

C19H23ClN2OS — CID 118726206

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C19H23ClN2OS/c20-17-9-5-4-8-15(17)12-16-13-21-19(24-16)22-18(23)11-10-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,21,22,23)
InChIKeyFZRYKOVVPHQZJR-UHFFFAOYSA-N
MW362.93 g/mol
LogP5.69
Rot. Bonds6

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (PubChem CID 118726206) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
PubChem CID118726206
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C19H23ClN2OS/c20-17-9-5-4-8-15(17)12-16-13-21-19(24-16)22-18(23)11-10-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,21,22,23)
InChIKeyFZRYKOVVPHQZJR-UHFFFAOYSA-N
XLogP5.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (CID 118726206) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The InChIKey is FZRYKOVVPHQZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c20-17-9-5-4-8-15(17)12-16-13-21-19(24-16)22-18(23)11-10-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,21,22,23).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide has a molecular weight of 362.93 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 118726206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).