2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide

C20H20N4O2S — CID 16948235

IUPAC2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2csc(NC(=O)Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C20H20N4O2S/c1-12-9-13(2)17(14(3)10-12)23-18(25)16-11-27-20(22-16)24-19(26)21-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,23,25)(H2,21,22,24,26)
InChIKeyRKBDTWWOCUNKBS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.96
Rot. Bonds4

About 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide

2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16948235) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16948235
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2csc(NC(=O)Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C20H20N4O2S/c1-12-9-13(2)17(14(3)10-12)23-18(25)16-11-27-20(22-16)24-19(26)21-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,23,25)(H2,21,22,24,26)
InChIKeyRKBDTWWOCUNKBS-UHFFFAOYSA-N
XLogP4.96
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948232
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948151
2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948367
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide (CID 16948235) is 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2csc(NC(=O)Nc3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RKBDTWWOCUNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-9-13(2)17(14(3)10-12)23-18(25)16-11-27-20(22-16)24-19(26)21-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,23,25)(H2,21,22,24,26).
What are the key properties of 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide?
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).