N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide

C12H17N3OS — CID 167190518

IUPACN-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(C2=CCNCC2)s1
InChIInChI=1S/C12H17N3OS/c1-8(2)15-11(16)10-7-14-12(17-10)9-3-5-13-6-4-9/h3,7-8,13H,4-6H2,1-2H3,(H,15,16)
InChIKeyWZUWJIVEJYAPQF-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.66
Rot. Bonds3

About N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide

N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 167190518) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID167190518
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(C2=CCNCC2)s1
InChIInChI=1S/C12H17N3OS/c1-8(2)15-11(16)10-7-14-12(17-10)9-3-5-13-6-4-9/h3,7-8,13H,4-6H2,1-2H3,(H,15,16)
InChIKeyWZUWJIVEJYAPQF-UHFFFAOYSA-N
XLogP1.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-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

N,2-ditert-butyl-1,3-thiazole-5-carboxamide
CID 47398500
N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
2-tert-butyl-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53516078
N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75389323
N-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]-1,3-thiazole-5-carboxamide
CID 118769675
2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 142226390
2-(aminomethyl)-N-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 144024743
2-(1-aminoethyl)-N-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 145547312
2-(1-aminoethyl)-N-[5-methyl-4-(trifluoromethyl)-1lambda3-iodacyclohexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 163766711
N-((1r,4r)-4-aminocyclohexyl)-2-ethylthiazole-5-carboxamide
CID 132227597
N,2-diethyl-1,3-thiazole-5-carboxamide
CID 21050643

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide (CID 167190518) is N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide is CC(C)NC(=O)c1cnc(C2=CCNCC2)s1.
What is the InChIKey of N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is WZUWJIVEJYAPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(2)15-11(16)10-7-14-12(17-10)9-3-5-13-6-4-9/h3,7-8,13H,4-6H2,1-2H3,(H,15,16).
What are the key properties of N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide?
N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167190518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).