N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide

C22H24N4O4S — CID 42813573

IUPACN-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Nc2nc(C(=O)N(CCC(=O)NCc3ccco3)C3CC3)cs2)c1
InChIInChI=1S/C22H24N4O4S/c1-29-17-5-2-4-15(12-17)24-22-25-19(14-31-22)21(28)26(16-7-8-16)10-9-20(27)23-13-18-6-3-11-30-18/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyYEBNOWRIIYLURN-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.80
Rot. Bonds10

About N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide

N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 42813573) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID42813573
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Nc2nc(C(=O)N(CCC(=O)NCc3ccco3)C3CC3)cs2)c1
InChIInChI=1S/C22H24N4O4S/c1-29-17-5-2-4-15(12-17)24-22-25-19(14-31-22)21(28)26(16-7-8-16)10-9-20(27)23-13-18-6-3-11-30-18/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyYEBNOWRIIYLURN-UHFFFAOYSA-N
XLogP3.80
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813263
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783081
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
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-(3-methoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42813570
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140459
N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070141
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
N-cyclopropyl-2-(2,3-dichloroanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137337
2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46136486
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813628
2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813598

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide (CID 42813573) is N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide is COc1cccc(Nc2nc(C(=O)N(CCC(=O)NCc3ccco3)C3CC3)cs2)c1.
What is the InChIKey of N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is YEBNOWRIIYLURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-29-17-5-2-4-15(12-17)24-22-25-19(14-31-22)21(28)26(16-7-8-16)10-9-20(27)23-13-18-6-3-11-30-18/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).