N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide

C25H20N4O3S — CID 30544350

IUPACN-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C25H20N4O3S/c1-16-21(33-25(26-16)18-12-6-3-7-13-18)24(32)29-28-23(31)19-14-8-9-15-20(19)27-22(30)17-10-4-2-5-11-17/h2-15H,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyDRXYTNUQAVRSHG-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.45
Rot. Bonds5

About N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide

N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 30544350) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
PubChem CID30544350
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC NameN-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C25H20N4O3S/c1-16-21(33-25(26-16)18-12-6-3-7-13-18)24(32)29-28-23(31)19-14-8-9-15-20(19)27-22(30)17-10-4-2-5-11-17/h2-15H,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyDRXYTNUQAVRSHG-UHFFFAOYSA-N
XLogP4.45
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
N-[2-(1-hydroxyethyl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110885308
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995
N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27675364
N'-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 35411866

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide (CID 30544350) is N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is DRXYTNUQAVRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-16-21(33-25(26-16)18-12-6-3-7-13-18)24(32)29-28-23(31)19-14-8-9-15-20(19)27-22(30)17-10-4-2-5-11-17/h2-15H,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide?
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 456.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 30544350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).