N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C20H25FN2OS — CID 55650978

IUPACN-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C20H25FN2OS/c1-14-19(20(24)23(2)13-16-6-4-3-5-7-16)25-18(22-14)12-15-8-10-17(21)11-9-15/h8-11,16H,3-7,12-13H2,1-2H3
InChIKeyXSBMKBRABQCVSI-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.83
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 55650978) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID55650978
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC NameN-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C20H25FN2OS/c1-14-19(20(24)23(2)13-16-6-4-3-5-7-16)25-18(22-14)12-15-8-10-17(21)11-9-15/h8-11,16H,3-7,12-13H2,1-2H3
InChIKeyXSBMKBRABQCVSI-UHFFFAOYSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 55650978) is N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is XSBMKBRABQCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c1-14-19(20(24)23(2)13-16-6-4-3-5-7-16)25-18(22-14)12-15-8-10-17(21)11-9-15/h8-11,16H,3-7,12-13H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55650978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).