N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

C16H15N3O3S — CID 1096729

IUPACN-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1
InChIInChI=1S/C16H15N3O3S/c1-21-12-6-4-11(5-7-12)18-16-19-14(10-23-16)15(20)17-9-13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyFHBRFLAOVYMCJT-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.42
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 1096729) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID1096729
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1
InChIInChI=1S/C16H15N3O3S/c1-21-12-6-4-11(5-7-12)18-16-19-14(10-23-16)15(20)17-9-13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyFHBRFLAOVYMCJT-UHFFFAOYSA-N
XLogP3.42
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chlorophenyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 647485
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
Furan-2-carboxylic acid {4-[(4-chloro-phenylcarbamoyl)-methyl]-thiazol-2-yl}-ethyl-amide
CID 648157
2-p-Tolylamino-thiazole-4-carboxylic acid (furan-2-ylmethyl)-amide
CID 649469
N-(4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 972496
2-[acetyl(2-furanylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-4-thiazolecarboxamide
CID 1079280
N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
CID 2536143
N-[1-oxo-1-[[4-(2-pyridinyl)-2-thiazolyl]amino]propan-2-yl]-2-furancarboxamide
CID 2999347
N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 7151123
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[1-(furan-2-yl)ethyl]urea
CID 164609493
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(furan-2-ylmethyl)urea
CID 164622259
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 9502265

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (CID 1096729) is N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is FHBRFLAOVYMCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-12-6-4-11(5-7-12)18-16-19-14(10-23-16)15(20)17-9-13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1096729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).