3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide

C15H17N3O2S — CID 119121660

IUPAC3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
SMILESCCC(NC(=O)c1cccc(C(N)=O)c1)c1nc(C)cs1
InChIInChI=1S/C15H17N3O2S/c1-3-12(15-17-9(2)8-21-15)18-14(20)11-6-4-5-10(7-11)13(16)19/h4-8,12H,3H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyBEXGWRDUZNOGOL-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.43
Rot. Bonds5

About 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide

3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide (PubChem CID 119121660) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
PubChem CID119121660
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
SMILESCCC(NC(=O)c1cccc(C(N)=O)c1)c1nc(C)cs1
InChIInChI=1S/C15H17N3O2S/c1-3-12(15-17-9(2)8-21-15)18-14(20)11-6-4-5-10(7-11)13(16)19/h4-8,12H,3H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyBEXGWRDUZNOGOL-UHFFFAOYSA-N
XLogP2.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 119121657
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
CID 120646354
N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 95772810
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065524
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
CID 110025280
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide (CID 119121660) is 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide is CCC(NC(=O)c1cccc(C(N)=O)c1)c1nc(C)cs1.
What is the InChIKey of 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide?
The InChIKey is BEXGWRDUZNOGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-12(15-17-9(2)8-21-15)18-14(20)11-6-4-5-10(7-11)13(16)19/h4-8,12H,3H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide?
3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 119121660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).