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

C20H26N4O2S — CID 16897390

IUPACN-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCC3CCCCC3)s2)cc1
InChIInChI=1S/C20H26N4O2S/c1-13-8-10-16(11-9-13)23-19(26)24-20-22-14(2)17(27-20)18(25)21-12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyRPCSIJGISGBYNG-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.71
Rot. Bonds5

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

N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 16897390) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
PubChem CID16897390
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCC3CCCCC3)s2)cc1
InChIInChI=1S/C20H26N4O2S/c1-13-8-10-16(11-9-13)23-19(26)24-20-22-14(2)17(27-20)18(25)21-12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyRPCSIJGISGBYNG-UHFFFAOYSA-N
XLogP4.71
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-methylphenyl)carbamoylamino]-N-propyl-1,3-thiazole-5-carboxamide
CID 16897288
N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897397
N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897357
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684410
2-[(4-chlorophenyl)carbamoylamino]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897590
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468167
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39892162
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 16897605
1-(cyclopentylmethyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 108902644
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 86882671

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (CID 16897390) is N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCC3CCCCC3)s2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is RPCSIJGISGBYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-8-10-16(11-9-13)23-19(26)24-20-22-14(2)17(27-20)18(25)21-12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).