N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C19H17N5O3S — CID 16948581

IUPACN-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(NC(=O)Nc2nc(C(=O)Nc3ccccc3C(N)=O)cs2)c1
InChIInChI=1S/C19H17N5O3S/c1-11-5-4-6-12(9-11)21-18(27)24-19-23-15(10-28-19)17(26)22-14-8-3-2-7-13(14)16(20)25/h2-10H,1H3,(H2,20,25)(H,22,26)(H2,21,23,24,27)
InChIKeyAJNCAPKWVDLTHB-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.45
Rot. Bonds5

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

N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16948581) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16948581
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC NameN-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(NC(=O)Nc2nc(C(=O)Nc3ccccc3C(N)=O)cs2)c1
InChIInChI=1S/C19H17N5O3S/c1-11-5-4-6-12(9-11)21-18(27)24-19-23-15(10-28-19)17(26)22-14-8-3-2-7-13(14)16(20)25/h2-10H,1H3,(H2,20,25)(H,22,26)(H2,21,23,24,27)
InChIKeyAJNCAPKWVDLTHB-UHFFFAOYSA-N
XLogP3.45
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505
N-(2-amino-2-oxoethyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948584
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948367
N-(3-chloro-2-methylphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948852
1-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 77046632
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948468
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948431
N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948232
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16948581) is N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is Cc1cccc(NC(=O)Nc2nc(C(=O)Nc3ccccc3C(N)=O)cs2)c1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is AJNCAPKWVDLTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-11-5-4-6-12(9-11)21-18(27)24-19-23-15(10-28-19)17(26)22-14-8-3-2-7-13(14)16(20)25/h2-10H,1H3,(H2,20,25)(H,22,26)(H2,21,23,24,27).
What are the key properties of N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).