(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide

C15H15N3O2S — CID 95156736

IUPAC(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CC2)cc1
InChIInChI=1S/C15H15N3O2S/c16-7-10-1-5-12(6-2-10)17-14(19)13-8-21-9-18(13)15(20)11-3-4-11/h1-2,5-6,11,13H,3-4,8-9H2,(H,17,19)/t13-/m1/s1
InChIKeyBBWBAHVPGXIDAS-CYBMUJFWSA-N
MW301.37 g/mol
LogP1.81
Rot. Bonds3

About (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95156736) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95156736
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CC2)cc1
InChIInChI=1S/C15H15N3O2S/c16-7-10-1-5-12(6-2-10)17-14(19)13-8-21-9-18(13)15(20)11-3-4-11/h1-2,5-6,11,13H,3-4,8-9H2,(H,17,19)/t13-/m1/s1
InChIKeyBBWBAHVPGXIDAS-CYBMUJFWSA-N
XLogP1.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95158933
(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 95308769
(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 95327247
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-(2-chloro-5-nitrobenzoyl)-N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 56530411
N-(4-cyanophenyl)-3-(2-isoquinolin-5-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 166356156
3-(1-chloroisoquinoline-3-carbonyl)-N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 56530096
(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95614265
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 95154199
methyl 5-acetyl-2-[2-[(4S)-4-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 95302124
methyl 5-acetyl-2-[2-[(4R)-4-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 95302125

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide (CID 95156736) is (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide is N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CC2)cc1.
What is the InChIKey of (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BBWBAHVPGXIDAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-7-10-1-5-12(6-2-10)17-14(19)13-8-21-9-18(13)15(20)11-3-4-11/h1-2,5-6,11,13H,3-4,8-9H2,(H,17,19)/t13-/m1/s1.
What are the key properties of (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95156736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).