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

C24H24N4O3S — CID 121062420

IUPACN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C24H24N4O3S/c1-15-20(32-24(27-15)18-5-3-2-4-6-18)23(31)28-19-11-9-17(10-12-19)22(30)26-14-13-25-21(29)16-7-8-16/h2-6,9-12,16H,7-8,13-14H2,1H3,(H,25,29)(H,26,30)(H,28,31)
InChIKeyGHGOINVNYHXOHT-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.63
Rot. Bonds8

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

N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 121062420) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID121062420
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C24H24N4O3S/c1-15-20(32-24(27-15)18-5-3-2-4-6-18)23(31)28-19-11-9-17(10-12-19)22(30)26-14-13-25-21(29)16-7-8-16/h2-6,9-12,16H,7-8,13-14H2,1H3,(H,25,29)(H,26,30)(H,28,31)
InChIKeyGHGOINVNYHXOHT-UHFFFAOYSA-N
XLogP3.63
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892921
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
N'-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439328
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388
4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 91967888
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
3-[[4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222856
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
N-[2-[[N-ethyl-N'-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927326
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 121062420) is N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is GHGOINVNYHXOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-15-20(32-24(27-15)18-5-3-2-4-6-18)23(31)28-19-11-9-17(10-12-19)22(30)26-14-13-25-21(29)16-7-8-16/h2-6,9-12,16H,7-8,13-14H2,1H3,(H,25,29)(H,26,30)(H,28,31).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 121062420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).