N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

C16H22N2OS — CID 3042317

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H22N2OS/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(19)18-16-17-8-9-20-16/h4-7,11-12H,8-10H2,1-3H3,(H,17,18,19)
InChIKeyIWVKESZPDAZWSN-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.21
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 3042317) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID3042317
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H22N2OS/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(19)18-16-17-8-9-20-16/h4-7,11-12H,8-10H2,1-3H3,(H,17,18,19)
InChIKeyIWVKESZPDAZWSN-UHFFFAOYSA-N
XLogP3.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]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-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
CID 776902
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 6624464
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-isopropylbenzamide
CID 802139
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-isopropylphenyl)acrylamide
CID 5416418
2-[4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]phenyl]acetamide
CID 135857023
2-Imino-5-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 2841532
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
CID 4877567
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 50910532
3-(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}phenyl)propanamide
CID 135857031
2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
CID 4875224
1-(2-Ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
CID 5183504
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 2796389

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 3042317) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is IWVKESZPDAZWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(19)18-16-17-8-9-20-16/h4-7,11-12H,8-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 290.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 3042317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).