2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide

C14H15N3O2S — CID 21087167

IUPAC2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
SMILESCCCc1c(C(N)=O)cc(-c2nccs2)cc1C(N)=O
InChIInChI=1S/C14H15N3O2S/c1-2-3-9-10(12(15)18)6-8(7-11(9)13(16)19)14-17-4-5-20-14/h4-7H,2-3H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyBACXWRFCBAGJEY-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.96
Rot. Bonds5

About 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide

2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide (PubChem CID 21087167) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
PubChem CID21087167
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
SMILESCCCc1c(C(N)=O)cc(-c2nccs2)cc1C(N)=O
InChIInChI=1S/C14H15N3O2S/c1-2-3-9-10(12(15)18)6-8(7-11(9)13(16)19)14-17-4-5-20-14/h4-7H,2-3H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyBACXWRFCBAGJEY-UHFFFAOYSA-N
XLogP1.96
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide 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

(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)(1,3-Thiazol-2-Yl)methanone
CID 119057481
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-thiazol-2-ylbenzoyl)-1H-pyridin-2-one
CID 3012801
2-Ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one
CID 10038094
4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one
CID 10059699
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 25167491
3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide
CID 25167492
N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 25167622
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 25169504
3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
CID 59432538
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 59432550
N-[(2R)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 59432552
N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 59432567

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide (CID 21087167) is 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide is CCCc1c(C(N)=O)cc(-c2nccs2)cc1C(N)=O.
What is the InChIKey of 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide?
The InChIKey is BACXWRFCBAGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-3-9-10(12(15)18)6-8(7-11(9)13(16)19)14-17-4-5-20-14/h4-7H,2-3H2,1H3,(H2,15,18)(H2,16,19).
What are the key properties of 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide?
2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 21087167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).