2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide

C15H17N5OS — CID 176630345

IUPAC2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(C(/C=N/c2ccncc2)=C/N)n1
InChIInChI=1S/C15H17N5OS/c1-2-5-18-14(21)13-10-22-15(20-13)11(8-16)9-19-12-3-6-17-7-4-12/h3-4,6-10H,2,5,16H2,1H3,(H,18,21)/b11-8+,19-9+
InChIKeyMGLOOSTXFXZSTG-UAIPIDMLSA-N
MW315.40 g/mol
LogP2.38
Rot. Bonds6

About 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide

2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 176630345) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID176630345
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(C(/C=N/c2ccncc2)=C/N)n1
InChIInChI=1S/C15H17N5OS/c1-2-5-18-14(21)13-10-22-15(20-13)11(8-16)9-19-12-3-6-17-7-4-12/h3-4,6-10H,2,5,16H2,1H3,(H,18,21)/b11-8+,19-9+
InChIKeyMGLOOSTXFXZSTG-UAIPIDMLSA-N
XLogP2.38
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide (CID 176630345) is 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(C(/C=N/c2ccncc2)=C/N)n1.
What is the InChIKey of 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is MGLOOSTXFXZSTG-UAIPIDMLSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-2-5-18-14(21)13-10-22-15(20-13)11(8-16)9-19-12-3-6-17-7-4-12/h3-4,6-10H,2,5,16H2,1H3,(H,18,21)/b11-8+,19-9+.
What are the key properties of 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide?
2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-amino-3-pyridin-4-yliminoprop-1-en-2-yl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 176630345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).