2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide

C20H20N4O2S — CID 49321700

IUPAC2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)s1
InChIInChI=1S/C20H20N4O2S/c1-3-17-21-13(2)18(27-17)19(25)22-15-10-7-11-16(12-15)24-20(26)23-14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyBJNOHRUVYQBDOH-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.91
Rot. Bonds5

About 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 49321700) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID49321700
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)s1
InChIInChI=1S/C20H20N4O2S/c1-3-17-21-13(2)18(27-17)19(25)22-15-10-7-11-16(12-15)24-20(26)23-14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyBJNOHRUVYQBDOH-UHFFFAOYSA-N
XLogP4.91
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
2-butyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55688150
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075
3-[[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222870
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427
N-(4-butylphenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897189

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide (CID 49321700) is 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BJNOHRUVYQBDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-17-21-13(2)18(27-17)19(25)22-15-10-7-11-16(12-15)24-20(26)23-14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49321700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).