(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide

C16H31N3O2S — CID 95383466

IUPAC(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C
InChIInChI=1S/C16H31N3O2S/c1-15(2,3)14(21)19-11-22-8-12(19)13(20)17-9-16(4,5)10-18(6)7/h12H,8-11H2,1-7H3,(H,17,20)/t12-/m1/s1
InChIKeyPYSWHHDTZFLSMT-GFCCVEGCSA-N
MW329.51 g/mol
LogP1.64
Rot. Bonds5

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

(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95383466) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95383466
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC Name(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C
InChIInChI=1S/C16H31N3O2S/c1-15(2,3)14(21)19-11-22-8-12(19)13(20)17-9-16(4,5)10-18(6)7/h12H,8-11H2,1-7H3,(H,17,20)/t12-/m1/s1
InChIKeyPYSWHHDTZFLSMT-GFCCVEGCSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide
CID 95334963
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95273657
(4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95309616
3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120826760
(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 95274262
(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95330439
(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95612592
(4S)-N-[(2S)-2-methyl-2-[[(4R)-3-propanoyl-1,3-thiazolidine-4-carbonyl]amino]butyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 96535321
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119642900
(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 95330465
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119642899
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 95383466) is (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C.
What is the InChIKey of (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PYSWHHDTZFLSMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-15(2,3)14(21)19-11-22-8-12(19)13(20)17-9-16(4,5)10-18(6)7/h12H,8-11H2,1-7H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 329.51 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95383466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).