3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide

C10H19N3O2S — CID 120831919

IUPAC3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(C)CNC(=O)C1CSCN1C(C)=O
InChIInChI=1S/C10H19N3O2S/c1-7(11-3)4-12-10(15)9-5-16-6-13(9)8(2)14/h7,9,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyNEXOIDPXJCGLAK-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.37
Rot. Bonds4

About 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide

3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 120831919) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
PubChem CID120831919
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(C)CNC(=O)C1CSCN1C(C)=O
InChIInChI=1S/C10H19N3O2S/c1-7(11-3)4-12-10(15)9-5-16-6-13(9)8(2)14/h7,9,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyNEXOIDPXJCGLAK-UHFFFAOYSA-N
XLogP-0.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120832672
3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120826760
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
(4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 52529855
N-(cyclopropylmethyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 60608947
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 51093664
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97082517
2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119225257
3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
CID 47080816
1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone
CID 58849875

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide (CID 120831919) is 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide is CNC(C)CNC(=O)C1CSCN1C(C)=O.
What is the InChIKey of 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NEXOIDPXJCGLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7(11-3)4-12-10(15)9-5-16-6-13(9)8(2)14/h7,9,11H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 245.35 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 120831919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).