N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide

C15H12N2O2S2 — CID 110393640

IUPACN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(O)cc2)cs1)c1cccs1
InChIInChI=1S/C15H12N2O2S2/c18-11-5-3-10(4-6-11)12-9-21-14(17-12)8-16-15(19)13-2-1-7-20-13/h1-7,9,18H,8H2,(H,16,19)
InChIKeyGKXWQNMEYBFSCL-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.51
Rot. Bonds4

About N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 110393640) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID110393640
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(O)cc2)cs1)c1cccs1
InChIInChI=1S/C15H12N2O2S2/c18-11-5-3-10(4-6-11)12-9-21-14(17-12)8-16-15(19)13-2-1-7-20-13/h1-7,9,18H,8H2,(H,16,19)
InChIKeyGKXWQNMEYBFSCL-UHFFFAOYSA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047376
N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756086
5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971642
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethoxybenzamide
CID 110393552
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide (CID 110393640) is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nc(-c2ccc(O)cc2)cs1)c1cccs1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is GKXWQNMEYBFSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c18-11-5-3-10(4-6-11)12-9-21-14(17-12)8-16-15(19)13-2-1-7-20-13/h1-7,9,18H,8H2,(H,16,19).
What are the key properties of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide?
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110393640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).