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

C14H14N4O2S — CID 11781617

IUPAC3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(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/h3-8H,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyUJQGJJURAWVPHK-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.70
Rot. Bonds4

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

3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 11781617) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID11781617
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(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/h3-8H,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyUJQGJJURAWVPHK-UHFFFAOYSA-N
XLogP2.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 47299476
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3-[2-methyl-3-(1,3-thiazol-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 77073019
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110465502
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 110684009
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 11544198

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 11781617) is 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is CC(C)=CC(=O)Nc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is UJQGJJURAWVPHK-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/h3-8H,1-2H3,(H,17,19)(H,16,18,20).
What are the key properties of 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 11781617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).