N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

C15H15N3OS — CID 13478593

IUPACN-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
SMILESC=CCNC(=O)c1cc(-c2cccnc2)n2c1CSC2
InChIInChI=1S/C15H15N3OS/c1-2-5-17-15(19)12-7-13(11-4-3-6-16-8-11)18-10-20-9-14(12)18/h2-4,6-8H,1,5,9-10H2,(H,17,19)
InChIKeyIYGDHQMSSRJINJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.67
Rot. Bonds4

About N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide (PubChem CID 13478593) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
PubChem CID13478593
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
SMILESC=CCNC(=O)c1cc(-c2cccnc2)n2c1CSC2
InChIInChI=1S/C15H15N3OS/c1-2-5-17-15(19)12-7-13(11-4-3-6-16-8-11)18-10-20-9-14(12)18/h2-4,6-8H,1,5,9-10H2,(H,17,19)
InChIKeyIYGDHQMSSRJINJ-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The IUPAC name of N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide (CID 13478593) is N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide is C=CCNC(=O)c1cc(-c2cccnc2)n2c1CSC2.
What is the InChIKey of N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The InChIKey is IYGDHQMSSRJINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-5-17-15(19)12-7-13(11-4-3-6-16-8-11)18-10-20-9-14(12)18/h2-4,6-8H,1,5,9-10H2,(H,17,19).
What are the key properties of N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 13478593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).