2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide

C18H16N4O2S — CID 35272257

IUPAC2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(Nc2ccc(-c3ccc(C(N)=O)cc3)cc2)n1
InChIInChI=1S/C18H16N4O2S/c1-20-17(24)15-10-25-18(22-15)21-14-8-6-12(7-9-14)11-2-4-13(5-3-11)16(19)23/h2-10H,1H3,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyDYYQJZDUSHOBJT-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.01
Rot. Bonds5

About 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide

2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 35272257) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID35272257
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(Nc2ccc(-c3ccc(C(N)=O)cc3)cc2)n1
InChIInChI=1S/C18H16N4O2S/c1-20-17(24)15-10-25-18(22-15)21-14-8-6-12(7-9-14)11-2-4-13(5-3-11)16(19)23/h2-10H,1H3,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyDYYQJZDUSHOBJT-UHFFFAOYSA-N
XLogP3.01
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 46880291
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
CID 130709348
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide (CID 35272257) is 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(Nc2ccc(-c3ccc(C(N)=O)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DYYQJZDUSHOBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-20-17(24)15-10-25-18(22-15)21-14-8-6-12(7-9-14)11-2-4-13(5-3-11)16(19)23/h2-10H,1H3,(H2,19,23)(H,20,24)(H,21,22).
What are the key properties of 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide?
2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbamoylphenyl)anilino]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 35272257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).