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

C15H15N3O2S — CID 62957931

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)c1csc(NC(=O)c2ccc(C#CCO)cn2)n1
InChIInChI=1S/C15H15N3O2S/c1-10(2)13-9-21-15(17-13)18-14(20)12-6-5-11(8-16-12)4-3-7-19/h5-6,8-10,19H,7H2,1-2H3,(H,17,18,20)
InChIKeyIOOYZUFBFCCZDX-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.26
Rot. Bonds3

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

5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 62957931) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID62957931
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)c1csc(NC(=O)c2ccc(C#CCO)cn2)n1
InChIInChI=1S/C15H15N3O2S/c1-10(2)13-9-21-15(17-13)18-14(20)12-6-5-11(8-16-12)4-3-7-19/h5-6,8-10,19H,7H2,1-2H3,(H,17,18,20)
InChIKeyIOOYZUFBFCCZDX-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62960072
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-(1-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62958085
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 63048047
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62957929
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62954011
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
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
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106041923
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 62957931) is 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide is CC(C)c1csc(NC(=O)c2ccc(C#CCO)cn2)n1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is IOOYZUFBFCCZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10(2)13-9-21-15(17-13)18-14(20)12-6-5-11(8-16-12)4-3-7-19/h5-6,8-10,19H,7H2,1-2H3,(H,17,18,20).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62957931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).