N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide

C9H18N2O2S — CID 115734496

IUPACN-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CSCN1
InChIInChI=1S/C9H18N2O2S/c1-7(12)3-4-11(2)9(13)8-5-14-6-10-8/h7-8,10,12H,3-6H2,1-2H3
InChIKeyWUNIPTMCZZMBQP-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.12
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide

N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 115734496) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID115734496
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CSCN1
InChIInChI=1S/C9H18N2O2S/c1-7(12)3-4-11(2)9(13)8-5-14-6-10-8/h7-8,10,12H,3-6H2,1-2H3
InChIKeyWUNIPTMCZZMBQP-UHFFFAOYSA-N
XLogP-0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 63695214
N-(2-hydroxyethyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 43579457
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110742655
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110663570
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119344769
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938220
N-ethyl-N-hydroxy-1,3-thiazolidine-4-carboxamide
CID 131080910
N-methoxy-N-methyl-1,3-thiazolidine-4-carboxamide
CID 22922472
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 63234484
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 55005047
N-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54869067

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide (CID 115734496) is N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide is CC(O)CCN(C)C(=O)C1CSCN1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is WUNIPTMCZZMBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(12)3-4-11(2)9(13)8-5-14-6-10-8/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide?
N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 218.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 115734496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).