2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide

C19H23ClN4O2S — CID 42813493

IUPAC2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)CCN(C(=O)c1csc(Nc2ccccc2Cl)n1)C1CC1
InChIInChI=1S/C19H23ClN4O2S/c1-12(2)21-17(25)9-10-24(13-7-8-13)18(26)16-11-27-19(23-16)22-15-6-4-3-5-14(15)20/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQARSGKBRTBHITG-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.06
Rot. Bonds8

About 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide

2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 42813493) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
PubChem CID42813493
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)CCN(C(=O)c1csc(Nc2ccccc2Cl)n1)C1CC1
InChIInChI=1S/C19H23ClN4O2S/c1-12(2)21-17(25)9-10-24(13-7-8-13)18(26)16-11-27-19(23-16)22-15-6-4-3-5-14(15)20/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQARSGKBRTBHITG-UHFFFAOYSA-N
XLogP4.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-(2,3-dichloroanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137337
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-(2-chloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 93305207
3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
CID 42795963
N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813478
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 5222692
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813506
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 83279349
N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 42813501
(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide
CID 93305434
N-benzyl-2-(2-chloroanilino)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136575
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 122146301

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide (CID 42813493) is 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide is CC(C)NC(=O)CCN(C(=O)c1csc(Nc2ccccc2Cl)n1)C1CC1.
What is the InChIKey of 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QARSGKBRTBHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-12(2)21-17(25)9-10-24(13-7-8-13)18(26)16-11-27-19(23-16)22-15-6-4-3-5-14(15)20/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide?
2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).