(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide

C17H21N3O3S — CID 95614265

IUPAC(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)c1
InChIInChI=1S/C17H21N3O3S/c1-18-15(21)12-6-3-7-13(8-12)19-16(22)14-9-24-10-20(14)17(23)11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyMERHZKVBZYNBCA-CQSZACIVSA-N
MW347.44 g/mol
LogP1.69
Rot. Bonds4

About (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95614265) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95614265
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)c1
InChIInChI=1S/C17H21N3O3S/c1-18-15(21)12-6-3-7-13(8-12)19-16(22)14-9-24-10-20(14)17(23)11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyMERHZKVBZYNBCA-CQSZACIVSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95158933
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95156736
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
N-[3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112767377
N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43000554
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549959
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
(4R)-3-(cyclopentanecarbonyl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 95321791

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 95614265) is (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide is CNC(=O)c1cccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)c1.
What is the InChIKey of (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MERHZKVBZYNBCA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-18-15(21)12-6-3-7-13(8-12)19-16(22)14-9-24-10-20(14)17(23)11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95614265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).