N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C15H15N3O2S — CID 62960072

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCc1nc(NC(=O)c2ccc(C#CCO)cn2)sc1C
InChIInChI=1S/C15H15N3O2S/c1-3-12-10(2)21-15(17-12)18-14(20)13-7-6-11(9-16-13)5-4-8-19/h6-7,9,19H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyCPGRSMYYPPVOEL-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.01
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 62960072) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID62960072
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCc1nc(NC(=O)c2ccc(C#CCO)cn2)sc1C
InChIInChI=1S/C15H15N3O2S/c1-3-12-10(2)21-15(17-12)18-14(20)13-7-6-11(9-16-13)5-4-8-19/h6-7,9,19H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyCPGRSMYYPPVOEL-UHFFFAOYSA-N
XLogP2.01
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62954011
5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62957931
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47444190
5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62958804
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62958428
N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62960401
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 106342097
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
CID 47047644
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 62960072) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is CCc1nc(NC(=O)c2ccc(C#CCO)cn2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is CPGRSMYYPPVOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-12-10(2)21-15(17-12)18-14(20)13-7-6-11(9-16-13)5-4-8-19/h6-7,9,19H,3,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 62960072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).