(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C8H16ClN3O2S — CID 119268318

IUPAC(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(=O)NCCNC(=O)[C@H]1CSCN1.Cl
InChIInChI=1S/C8H15N3O2S.ClH/c1-6(12)9-2-3-10-8(13)7-4-14-5-11-7;/h7,11H,2-5H2,1H3,(H,9,12)(H,10,13);1H/t7-;/m1./s1
InChIKeyYLLPZXOWRYDZFF-OGFXRTJISA-N
MW253.75 g/mol
LogP-0.68
Rot. Bonds4

About (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119268318) has the molecular formula C8H16ClN3O2S and a molecular weight of 253.75 g/mol. Its IUPAC name is (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119268318
Molecular FormulaC8H16ClN3O2S
Molecular Weight253.75 g/mol
Exact Mass253.07
IUPAC Name(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(=O)NCCNC(=O)[C@H]1CSCN1.Cl
InChIInChI=1S/C8H15N3O2S.ClH/c1-6(12)9-2-3-10-8(13)7-4-14-5-11-7;/h7,11H,2-5H2,1H3,(H,9,12)(H,10,13);1H/t7-;/m1./s1
InChIKeyYLLPZXOWRYDZFF-OGFXRTJISA-N
XLogP-0.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119293605
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide
CID 62640959
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119268318) is (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(=O)NCCNC(=O)[C@H]1CSCN1.Cl.
What is the InChIKey of (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is YLLPZXOWRYDZFF-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15N3O2S.ClH/c1-6(12)9-2-3-10-8(13)7-4-14-5-11-7;/h7,11H,2-5H2,1H3,(H,9,12)(H,10,13);1H/t7-;/m1./s1.
What are the key properties of (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 253.75 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119268318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).