N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide

C17H18N6O2S — CID 31347334

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCn3cncn3)n2)cc1
InChIInChI=1S/C17H18N6O2S/c1-12(24)19-8-13-2-4-14(5-3-13)15-9-26-17(21-15)22-16(25)6-7-23-11-18-10-20-23/h2-5,9-11H,6-8H2,1H3,(H,19,24)(H,21,22,25)
InChIKeyUVVHSAIDTVVROP-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.07
Rot. Bonds7

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

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 31347334) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID31347334
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCn3cncn3)n2)cc1
InChIInChI=1S/C17H18N6O2S/c1-12(24)19-8-13-2-4-14(5-3-13)15-9-26-17(21-15)22-16(25)6-7-23-11-18-10-20-23/h2-5,9-11H,6-8H2,1H3,(H,19,24)(H,21,22,25)
InChIKeyUVVHSAIDTVVROP-UHFFFAOYSA-N
XLogP2.07
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide 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-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24618427
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-acetyl-5-methylfuran-2-yl)propanamide
CID 24506095
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43018460
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide
CID 108739753
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 31347334) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCn3cncn3)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UVVHSAIDTVVROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-12(24)19-8-13-2-4-14(5-3-13)15-9-26-17(21-15)22-16(25)6-7-23-11-18-10-20-23/h2-5,9-11H,6-8H2,1H3,(H,19,24)(H,21,22,25).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 370.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 31347334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).