N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide

C17H15N3O3S — CID 86836025

IUPACN-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)s1
InChIInChI=1S/C17H15N3O3S/c1-11-18-9-14(24-11)10-19-16(21)12-4-2-5-13(8-12)20-17(22)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyNXJBLEZBXCQGNW-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.23
Rot. Bonds5

About N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 86836025) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID86836025
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)s1
InChIInChI=1S/C17H15N3O3S/c1-11-18-9-14(24-11)10-19-16(21)12-4-2-5-13(8-12)20-17(22)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyNXJBLEZBXCQGNW-UHFFFAOYSA-N
XLogP3.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55852480
1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 61481423
3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86825678
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[2-(2-methylphenoxy)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55907187
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 86836025) is N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide is Cc1ncc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)s1.
What is the InChIKey of N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is NXJBLEZBXCQGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11-18-9-14(24-11)10-19-16(21)12-4-2-5-13(8-12)20-17(22)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86836025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).