3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide

C17H17N3O3S — CID 100697415

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(NCc2cnc(-c3ccco3)s2)c1
InChIInChI=1S/C17H17N3O3S/c21-7-6-18-16(22)12-3-1-4-13(9-12)19-10-14-11-20-17(24-14)15-5-2-8-23-15/h1-5,8-9,11,19,21H,6-7,10H2,(H,18,22)
InChIKeyLEZZGHDKTDRASM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.74
Rot. Bonds7

About 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide

3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 100697415) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID100697415
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(NCc2cnc(-c3ccco3)s2)c1
InChIInChI=1S/C17H17N3O3S/c21-7-6-18-16(22)12-3-1-4-13(9-12)19-10-14-11-20-17(24-14)15-5-2-8-23-15/h1-5,8-9,11,19,21H,6-7,10H2,(H,18,22)
InChIKeyLEZZGHDKTDRASM-UHFFFAOYSA-N
XLogP2.74
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 166225271
3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778066
N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 86836025
3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778065
N-(2-hydroxyethyl)-3-[(4-nitrophenyl)methylamino]benzamide
CID 111601554
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide
CID 168579725
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
3-[(4,5-dibromothiophen-2-yl)methylamino]-N-propylbenzamide
CID 102831885
N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282727
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 111461720
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide (CID 100697415) is 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(NCc2cnc(-c3ccco3)s2)c1.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is LEZZGHDKTDRASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-7-6-18-16(22)12-3-1-4-13(9-12)19-10-14-11-20-17(24-14)15-5-2-8-23-15/h1-5,8-9,11,19,21H,6-7,10H2,(H,18,22).
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide?
3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 343.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 100697415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).