N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C17H16N2O2S2 — CID 111471875

IUPACN-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C17H16N2O2S2/c20-14(12-4-2-1-3-5-12)6-8-18-16(21)15-10-19-17(23-15)13-7-9-22-11-13/h1-5,7,9-11,14,20H,6,8H2,(H,18,21)
InChIKeyABWIELHPOCQKJR-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.73
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 111471875) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID111471875
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C17H16N2O2S2/c20-14(12-4-2-1-3-5-12)6-8-18-16(21)15-10-19-17(23-15)13-7-9-22-11-13/h1-5,7,9-11,14,20H,6,8H2,(H,18,21)
InChIKeyABWIELHPOCQKJR-UHFFFAOYSA-N
XLogP3.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120830738
N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86940531
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
(2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid
CID 166226959
N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111695946
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111484821
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 75463616
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111118283
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 111471875) is N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is O=C(NCCC(O)c1ccccc1)c1cnc(-c2ccsc2)s1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ABWIELHPOCQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c20-14(12-4-2-1-3-5-12)6-8-18-16(21)15-10-19-17(23-15)13-7-9-22-11-13/h1-5,7,9-11,14,20H,6,8H2,(H,18,21).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111471875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).