N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C15H21N3O2S — CID 119287347

IUPACN-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)c1cccc(CNC(=O)C2CSCN2)c1
InChIInChI=1S/C15H21N3O2S/c1-2-6-16-14(19)12-5-3-4-11(7-12)8-17-15(20)13-9-21-10-18-13/h3-5,7,13,18H,2,6,8-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyZAACNNJMVCJFCU-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.11
Rot. Bonds6

About N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119287347) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119287347
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)c1cccc(CNC(=O)C2CSCN2)c1
InChIInChI=1S/C15H21N3O2S/c1-2-6-16-14(19)12-5-3-4-11(7-12)8-17-15(20)13-9-21-10-18-13/h3-5,7,13,18H,2,6,8-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyZAACNNJMVCJFCU-UHFFFAOYSA-N
XLogP1.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287366
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-[[3-(propylcarbamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119287350
N-[2-(propylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 24707378
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride
CID 119302039
3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 119287362

Frequently Asked Questions

What is the IUPAC name of N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 119287347) is N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is CCCNC(=O)c1cccc(CNC(=O)C2CSCN2)c1.
What is the InChIKey of N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZAACNNJMVCJFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-6-16-14(19)12-5-3-4-11(7-12)8-17-15(20)13-9-21-10-18-13/h3-5,7,13,18H,2,6,8-10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119287347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).