N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride

C8H17ClN2OS — CID 47002788

IUPACN-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C8H16N2OS.ClH/c1-3-6(2)10-8(11)7-4-12-5-9-7;/h6-7,9H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyFGPXMXKRSVSRAX-UHFFFAOYSA-N
MW224.76 g/mol
LogP0.99
Rot. Bonds3

About N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 47002788) has the molecular formula C8H17ClN2OS and a molecular weight of 224.76 g/mol. Its IUPAC name is N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID47002788
Molecular FormulaC8H17ClN2OS
Molecular Weight224.76 g/mol
Exact Mass224.08
IUPAC NameN-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C8H16N2OS.ClH/c1-3-6(2)10-8(11)7-4-12-5-9-7;/h6-7,9H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyFGPXMXKRSVSRAX-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.76
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 47002788) is N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCC(C)NC(=O)C1CSCN1.Cl.
What is the InChIKey of N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is FGPXMXKRSVSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS.ClH/c1-3-6(2)10-8(11)7-4-12-5-9-7;/h6-7,9H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 224.76 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 47002788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).