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

C16H13N3O2S — CID 110393681

IUPACN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1nc(-c2ccc(O)cc2)cs1)c1ccncc1
InChIInChI=1S/C16H13N3O2S/c20-13-3-1-11(2-4-13)14-10-22-15(19-14)9-18-16(21)12-5-7-17-8-6-12/h1-8,10,20H,9H2,(H,18,21)
InChIKeyBNQWHXFUQKWOBK-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.84
Rot. Bonds4

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

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 110393681) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
PubChem CID110393681
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1nc(-c2ccc(O)cc2)cs1)c1ccncc1
InChIInChI=1S/C16H13N3O2S/c20-13-3-1-11(2-4-13)14-10-22-15(19-14)9-18-16(21)12-5-7-17-8-6-12/h1-8,10,20H,9H2,(H,18,21)
InChIKeyBNQWHXFUQKWOBK-UHFFFAOYSA-N
XLogP2.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110393640
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
tert-butyl N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]carbamate
CID 56585717
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 86804654
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide (CID 110393681) is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide is O=C(NCc1nc(-c2ccc(O)cc2)cs1)c1ccncc1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is BNQWHXFUQKWOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-13-3-1-11(2-4-13)14-10-22-15(19-14)9-18-16(21)12-5-7-17-8-6-12/h1-8,10,20H,9H2,(H,18,21).
What are the key properties of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide?
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.84, 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]pyridine-4-carboxamide is sourced from PubChem (CID 110393681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).