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

C9H18N2O2S — CID 65106779

IUPACN-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)(O)CNC(=O)C1CSCN1
InChIInChI=1S/C9H18N2O2S/c1-3-9(2,13)5-10-8(12)7-4-14-6-11-7/h7,11,13H,3-6H2,1-2H3,(H,10,12)
InChIKeyMSCPYFPITGGMTP-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.07
Rot. Bonds4

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

N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 65106779) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID65106779
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)(O)CNC(=O)C1CSCN1
InChIInChI=1S/C9H18N2O2S/c1-3-9(2,13)5-10-8(12)7-4-14-6-11-7/h7,11,13H,3-6H2,1-2H3,(H,10,12)
InChIKeyMSCPYFPITGGMTP-UHFFFAOYSA-N
XLogP-0.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide (CID 65106779) is N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide is CCC(C)(O)CNC(=O)C1CSCN1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MSCPYFPITGGMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-9(2,13)5-10-8(12)7-4-14-6-11-7/h7,11,13H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide?
N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 218.32 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 65106779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).