2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide

C18H24N4O3S — CID 42813617

IUPAC2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NC(C)C(=O)NCC(C)C)cs2)cc1
InChIInChI=1S/C18H24N4O3S/c1-11(2)9-19-16(23)12(3)20-17(24)15-10-26-18(22-15)21-13-5-7-14(25-4)8-6-13/h5-8,10-12H,9H2,1-4H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyAEPHDHUZDHXPEM-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.79
Rot. Bonds8

About 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide

2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 42813617) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID42813617
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NC(C)C(=O)NCC(C)C)cs2)cc1
InChIInChI=1S/C18H24N4O3S/c1-11(2)9-19-16(23)12(3)20-17(24)15-10-26-18(22-15)21-13-5-7-14(25-4)8-6-13/h5-8,10-12H,9H2,1-4H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyAEPHDHUZDHXPEM-UHFFFAOYSA-N
XLogP2.79
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyanilino)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120830754
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 166203011
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46079079
2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813234
N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813227
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813675
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813224
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120948240
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide (CID 42813617) is 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)NC(C)C(=O)NCC(C)C)cs2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is AEPHDHUZDHXPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-11(2)9-19-16(23)12(3)20-17(24)15-10-26-18(22-15)21-13-5-7-14(25-4)8-6-13/h5-8,10-12H,9H2,1-4H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).