2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide

C16H13N3O3S — CID 17361260

IUPAC2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C16H13N3O3S/c1-10-11(6-8-22-10)14(20)18-13-5-3-2-4-12(13)15(21)19-16-17-7-9-23-16/h2-9H,1H3,(H,18,20)(H,17,19,21)
InChIKeyAYDQZIYPUPNMQV-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.55
Rot. Bonds4

About 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide

2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide (PubChem CID 17361260) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide
PubChem CID17361260
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C16H13N3O3S/c1-10-11(6-8-22-10)14(20)18-13-5-3-2-4-12(13)15(21)19-16-17-7-9-23-16/h2-9H,1H3,(H,18,20)(H,17,19,21)
InChIKeyAYDQZIYPUPNMQV-UHFFFAOYSA-N
XLogP3.55
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 746004
N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 652401
2-(Furan-2-yl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 829492
2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 2936872
2-methyl-N-(1,3-thiazol-2-yl)furan-3-carboxamide
CID 874518
N-(2,3-Dimethyl-phenyl)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N'-thiazol-2-yl-succinamide
CID 3205707
N-(2,5-Dimethyl-phenyl)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N'-thiazol-2-yl-succinamide
CID 3205709
2,5-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-3-furamide
CID 1246241
N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(2-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205702
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N'-thiazol-2-yl-N-p-tolyl-succinamide
CID 3205704
N-(2-Ethyl-phenyl)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N'-thiazol-2-yl-succinamide
CID 3205705
N-(2,4-Dimethyl-phenyl)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N'-thiazol-2-yl-succinamide
CID 3205708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide (CID 17361260) is 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide?
The InChIKey is AYDQZIYPUPNMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-10-11(6-8-22-10)14(20)18-13-5-3-2-4-12(13)15(21)19-16-17-7-9-23-16/h2-9H,1H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide?
2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 17361260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).