2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide

C13H14N4OS — CID 166254965

IUPAC2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cnsc1)c1ccnc(NC2CCC2)c1
InChIInChI=1S/C13H14N4OS/c18-13(17-11-7-15-19-8-11)9-4-5-14-12(6-9)16-10-2-1-3-10/h4-8,10H,1-3H2,(H,14,16)(H,17,18)
InChIKeyDIHLKSVBGRRCEO-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.75
Rot. Bonds4

About 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide

2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide (PubChem CID 166254965) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
PubChem CID166254965
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cnsc1)c1ccnc(NC2CCC2)c1
InChIInChI=1S/C13H14N4OS/c18-13(17-11-7-15-19-8-11)9-4-5-14-12(6-9)16-10-2-1-3-10/h4-8,10H,1-3H2,(H,14,16)(H,17,18)
InChIKeyDIHLKSVBGRRCEO-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide (CID 166254965) is 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide is O=C(Nc1cnsc1)c1ccnc(NC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide?
The InChIKey is DIHLKSVBGRRCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-13(17-11-7-15-19-8-11)9-4-5-14-12(6-9)16-10-2-1-3-10/h4-8,10H,1-3H2,(H,14,16)(H,17,18).
What are the key properties of 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide?
2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 166254965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).