N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide

C16H22N2OS — CID 110661652

IUPACN-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)C1CC1)C1CSCN1
InChIInChI=1S/C16H22N2OS/c19-16(15-10-20-11-18-15)17-9-8-14(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2,(H,17,19)
InChIKeyVYUGGXFENMOTOS-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.35
Rot. Bonds6

About N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide

N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 110661652) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID110661652
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)C1CC1)C1CSCN1
InChIInChI=1S/C16H22N2OS/c19-16(15-10-20-11-18-15)17-9-8-14(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2,(H,17,19)
InChIKeyVYUGGXFENMOTOS-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119828799
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 110666300
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119295663
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
N-(2-cyclopropylpropyl)-1,3-thiazolidine-4-carboxamide
CID 115733848

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide (CID 110661652) is N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCC(c1ccccc1)C1CC1)C1CSCN1.
What is the InChIKey of N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VYUGGXFENMOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-16(15-10-20-11-18-15)17-9-8-14(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2,(H,17,19).
What are the key properties of N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide?
N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110661652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).