N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C8H16N2O2S — CID 65036326

IUPACN-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(CO)CNC(=O)C1CSCN1
InChIInChI=1S/C8H16N2O2S/c1-6(3-11)2-9-8(12)7-4-13-5-10-7/h6-7,10-11H,2-5H2,1H3,(H,9,12)
InChIKeyJMVYPZBORBZFAY-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.61
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide

N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 65036326) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID65036326
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(CO)CNC(=O)C1CSCN1
InChIInChI=1S/C8H16N2O2S/c1-6(3-11)2-9-8(12)7-4-13-5-10-7/h6-7,10-11H,2-5H2,1H3,(H,9,12)
InChIKeyJMVYPZBORBZFAY-UHFFFAOYSA-N
XLogP-0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 65036326) is N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(CO)CNC(=O)C1CSCN1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JMVYPZBORBZFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-6(3-11)2-9-8(12)7-4-13-5-10-7/h6-7,10-11H,2-5H2,1H3,(H,9,12).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 204.29 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 65036326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).