N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C9H18ClN3O2S — CID 119293605

IUPACN-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)CCNC(=O)C1CSCN1.Cl
InChIInChI=1S/C9H17N3O2S.ClH/c1-12(2)8(13)3-4-10-9(14)7-5-15-6-11-7;/h7,11H,3-6H2,1-2H3,(H,10,14);1H
InChIKeyKELALCYQGOUYCZ-UHFFFAOYSA-N
MW267.78 g/mol
LogP-0.33
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119293605) has the molecular formula C9H18ClN3O2S and a molecular weight of 267.78 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119293605
Molecular FormulaC9H18ClN3O2S
Molecular Weight267.78 g/mol
Exact Mass267.08
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)CCNC(=O)C1CSCN1.Cl
InChIInChI=1S/C9H17N3O2S.ClH/c1-12(2)8(13)3-4-10-9(14)7-5-15-6-11-7;/h7,11H,3-6H2,1-2H3,(H,10,14);1H
InChIKeyKELALCYQGOUYCZ-UHFFFAOYSA-N
XLogP-0.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide
CID 62640959
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119878784
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830630
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119293605) is N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CN(C)C(=O)CCNC(=O)C1CSCN1.Cl.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is KELALCYQGOUYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S.ClH/c1-12(2)8(13)3-4-10-9(14)7-5-15-6-11-7;/h7,11H,3-6H2,1-2H3,(H,10,14);1H.
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 267.78 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119293605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).