3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide

C19H25N3O2S — CID 75388517

IUPAC3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)N(CCc2nccs2)C(C)C)c1
InChIInChI=1S/C19H25N3O2S/c1-4-9-21-18(23)15-6-5-7-16(13-15)19(24)22(14(2)3)11-8-17-20-10-12-25-17/h5-7,10,12-14H,4,8-9,11H2,1-3H3,(H,21,23)
InChIKeyRSNLWFXFGINOFH-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.38
Rot. Bonds8

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

3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 75388517) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide
PubChem CID75388517
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)N(CCc2nccs2)C(C)C)c1
InChIInChI=1S/C19H25N3O2S/c1-4-9-21-18(23)15-6-5-7-16(13-15)19(24)22(14(2)3)11-8-17-20-10-12-25-17/h5-7,10,12-14H,4,8-9,11H2,1-3H3,(H,21,23)
InChIKeyRSNLWFXFGINOFH-UHFFFAOYSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 84595268
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-propan-2-yl-2-(prop-2-enoylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 166420609
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49355497
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63245324
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119220692

Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide (CID 75388517) is 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)N(CCc2nccs2)C(C)C)c1.
What is the InChIKey of 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is RSNLWFXFGINOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-4-9-21-18(23)15-6-5-7-16(13-15)19(24)22(14(2)3)11-8-17-20-10-12-25-17/h5-7,10,12-14H,4,8-9,11H2,1-3H3,(H,21,23).
What are the key properties of 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide?
3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 75388517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).