N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C10H23Cl2N3OS — CID 119830630

IUPACN-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)C1CSCN1.Cl.Cl
InChIInChI=1S/C10H21N3OS.2ClH/c1-10(2,13(3)4)6-11-9(14)8-5-15-7-12-8;;/h8,12H,5-7H2,1-4H3,(H,11,14);2*1H
InChIKeySSERHRQAKAAVBH-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.95
Rot. Bonds4

About N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119830630) has the molecular formula C10H23Cl2N3OS and a molecular weight of 304.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119830630
Molecular FormulaC10H23Cl2N3OS
Molecular Weight304.29 g/mol
Exact Mass303.09
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)C1CSCN1.Cl.Cl
InChIInChI=1S/C10H21N3OS.2ClH/c1-10(2,13(3)4)6-11-9(14)8-5-15-7-12-8;;/h8,12H,5-7H2,1-4H3,(H,11,14);2*1H
InChIKeySSERHRQAKAAVBH-UHFFFAOYSA-N
XLogP0.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide
CID 119327774
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119293605
N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830240
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119839593
N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003078
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide
CID 62640959
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119878784
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119830630) is N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is CN(C)C(C)(C)CNC(=O)C1CSCN1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is SSERHRQAKAAVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS.2ClH/c1-10(2,13(3)4)6-11-9(14)8-5-15-7-12-8;;/h8,12H,5-7H2,1-4H3,(H,11,14);2*1H.
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 304.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119830630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).