2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide

C18H16N4O2S — CID 46234348

IUPAC2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)cc1
InChIInChI=1S/C18H16N4O2S/c1-11-7-9-12(10-8-11)16(24)22-17-14(15(19)23)21-18(25-17)20-13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,23)(H,20,21)(H,22,24)
InChIKeyWCEDGRTWDSHZHF-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.55
Rot. Bonds5

About 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide

2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 46234348) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID46234348
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)cc1
InChIInChI=1S/C18H16N4O2S/c1-11-7-9-12(10-8-11)16(24)22-17-14(15(19)23)21-18(25-17)20-13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,23)(H,20,21)(H,22,24)
InChIKeyWCEDGRTWDSHZHF-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 46234348) is 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide is Cc1ccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)cc1.
What is the InChIKey of 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is WCEDGRTWDSHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-11-7-9-12(10-8-11)16(24)22-17-14(15(19)23)21-18(25-17)20-13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,23)(H,20,21)(H,22,24).
What are the key properties of 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide?
2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-[(4-methylbenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46234348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).