N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide

C17H19N5OS — CID 77079887

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H19N5OS/c23-16(7-4-10-22-13-18-12-20-22)19-9-8-17-21-15(11-24-17)14-5-2-1-3-6-14/h1-3,5-6,11-13H,4,7-10H2,(H,19,23)
InChIKeyFHKQAXMCWFFLPD-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.54
Rot. Bonds8

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 77079887) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID77079887
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H19N5OS/c23-16(7-4-10-22-13-18-12-20-22)19-9-8-17-21-15(11-24-17)14-5-2-1-3-6-14/h1-3,5-6,11-13H,4,7-10H2,(H,19,23)
InChIKeyFHKQAXMCWFFLPD-UHFFFAOYSA-N
XLogP2.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide 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

3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 90649319
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131939523
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91793199
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 25386042
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 122560454
2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 131902251

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 77079887) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is FHKQAXMCWFFLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-16(7-4-10-22-13-18-12-20-22)19-9-8-17-21-15(11-24-17)14-5-2-1-3-6-14/h1-3,5-6,11-13H,4,7-10H2,(H,19,23).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 341.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 77079887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).