(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

C14H25N3O3S — CID 95612592

IUPAC(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C14H25N3O3S/c1-14(2,3)6-11(18)17-9-21-8-10(17)13(20)15-7-12(19)16(4)5/h10H,6-9H2,1-5H3,(H,15,20)/t10-/m1/s1
InChIKeyGMSGCBOWJAZHNR-SNVBAGLBSA-N
MW315.44 g/mol
LogP0.53
Rot. Bonds4

About (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95612592) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95612592
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C14H25N3O3S/c1-14(2,3)6-11(18)17-9-21-8-10(17)13(20)15-7-12(19)16(4)5/h10H,6-9H2,1-5H3,(H,15,20)/t10-/m1/s1
InChIKeyGMSGCBOWJAZHNR-SNVBAGLBSA-N
XLogP0.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119642900
N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119498502
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119642899
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120945640
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95273657
(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95327328
(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 95153320
3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42749081
3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one
CID 58364462
(4R)-N-[(3-cyanophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95292753
(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95383466

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (CID 95612592) is (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C.
What is the InChIKey of (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GMSGCBOWJAZHNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-14(2,3)6-11(18)17-9-21-8-10(17)13(20)15-7-12(19)16(4)5/h10H,6-9H2,1-5H3,(H,15,20)/t10-/m1/s1.
What are the key properties of (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95612592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).