N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide

C15H16N4OS — CID 142517442

IUPACN-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESC/C=C(\N=C\C(C)NC(=O)c1cncs1)c1ccccn1
InChIInChI=1S/C15H16N4OS/c1-3-12(13-6-4-5-7-17-13)18-8-11(2)19-15(20)14-9-16-10-21-14/h3-11H,1-2H3,(H,19,20)/b12-3-,18-8+
InChIKeyCHYBXBONVSVTMX-YQGJKJHDSA-N
MW300.39 g/mol
LogP2.79
Rot. Bonds5

About N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide

N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 142517442) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID142517442
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESC/C=C(\N=C\C(C)NC(=O)c1cncs1)c1ccccn1
InChIInChI=1S/C15H16N4OS/c1-3-12(13-6-4-5-7-17-13)18-8-11(2)19-15(20)14-9-16-10-21-14/h3-11H,1-2H3,(H,19,20)/b12-3-,18-8+
InChIKeyCHYBXBONVSVTMX-YQGJKJHDSA-N
XLogP2.79
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

pyridin-2-yl(1,3-thiazol-5-yl)methanone
CID 141075221
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
CID 103920352
tert-butyl (2S)-2-(1,3-thiazole-5-carbonylamino)propanoate
CID 103822380
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine
CID 142517353
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
(1,3-thiazole-5-carbonylamino) (2S)-2-hydroxy-2-phenylacetate
CID 164945588
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide (CID 142517442) is N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide is C/C=C(\N=C\C(C)NC(=O)c1cncs1)c1ccccn1.
What is the InChIKey of N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is CHYBXBONVSVTMX-YQGJKJHDSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-12(13-6-4-5-7-17-13)18-8-11(2)19-15(20)14-9-16-10-21-14/h3-11H,1-2H3,(H,19,20)/b12-3-,18-8+.
What are the key properties of N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide?
N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142517442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).