3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C14H14N4O2S — CID 10979567

IUPAC3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESC=C(C)CC(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C14H14N4O2S/c1-9(2)8-11(19)17-10-4-3-5-15-12(10)13(20)18-14-16-6-7-21-14/h3-7H,1,8H2,2H3,(H,17,19)(H,16,18,20)
InChIKeyKFSGCGJHZFJFNZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.70
Rot. Bonds5

About 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 10979567) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID10979567
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESC=C(C)CC(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C14H14N4O2S/c1-9(2)8-11(19)17-10-4-3-5-15-12(10)13(20)18-14-16-6-7-21-14/h3-7H,1,8H2,2H3,(H,17,19)(H,16,18,20)
InChIKeyKFSGCGJHZFJFNZ-UHFFFAOYSA-N
XLogP2.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 10979567) is 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is C=C(C)CC(=O)Nc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is KFSGCGJHZFJFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9(2)8-11(19)17-10-4-3-5-15-12(10)13(20)18-14-16-6-7-21-14/h3-7H,1,8H2,2H3,(H,17,19)(H,16,18,20).
What are the key properties of 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 10979567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).