(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide

C16H26N4O2S — CID 95330465

IUPAC(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cnn(CCCNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1
InChIInChI=1S/C16H26N4O2S/c1-12-8-18-19(9-12)7-5-6-17-14(21)13-10-23-11-20(13)15(22)16(2,3)4/h8-9,13H,5-7,10-11H2,1-4H3,(H,17,21)/t13-/m1/s1
InChIKeyJYFDEWQCMDRLFN-CYBMUJFWSA-N
MW338.48 g/mol
LogP1.65
Rot. Bonds5

About (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95330465) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95330465
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cnn(CCCNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1
InChIInChI=1S/C16H26N4O2S/c1-12-8-18-19(9-12)7-5-6-17-14(21)13-10-23-11-20(13)15(22)16(2,3)4/h8-9,13H,5-7,10-11H2,1-4H3,(H,17,21)/t13-/m1/s1
InChIKeyJYFDEWQCMDRLFN-CYBMUJFWSA-N
XLogP1.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95330439
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 95156095
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
CID 119060470
(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 95274262
cis-(1R,2S)-N-[3-(4-methylpyrazol-1-yl)propyl]-2-nitrocyclopropane-1-carboxamide
CID 95139335
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 91834868
(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95383466
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
2,2,3,3,4,4,4-heptafluoro-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19328081
N-[3-(4-methylpyrazol-1-yl)propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71990284
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide (CID 95330465) is (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide is Cc1cnn(CCCNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1.
What is the InChIKey of (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is JYFDEWQCMDRLFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12-8-18-19(9-12)7-5-6-17-14(21)13-10-23-11-20(13)15(22)16(2,3)4/h8-9,13H,5-7,10-11H2,1-4H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95330465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).