N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C10H19ClN2O2S — CID 91659376

IUPACN-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCCO1)C1CSCN1
InChIInChI=1S/C10H18N2O2S.ClH/c13-10(9-6-15-7-12-9)11-5-8-3-1-2-4-14-8;/h8-9,12H,1-7H2,(H,11,13);1H
InChIKeyQPGWPPRSUCIZFD-UHFFFAOYSA-N
MW266.79 g/mol
LogP0.76
Rot. Bonds3

About N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 91659376) has the molecular formula C10H19ClN2O2S and a molecular weight of 266.79 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID91659376
Molecular FormulaC10H19ClN2O2S
Molecular Weight266.79 g/mol
Exact Mass266.09
IUPAC NameN-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCCO1)C1CSCN1
InChIInChI=1S/C10H18N2O2S.ClH/c13-10(9-6-15-7-12-9)11-5-8-3-1-2-4-14-8;/h8-9,12H,1-7H2,(H,11,13);1H
InChIKeyQPGWPPRSUCIZFD-UHFFFAOYSA-N
XLogP0.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
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N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperidine-2-carboxamide;hydrochloride
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N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide
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2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 91659376) is N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCCCO1)C1CSCN1.
What is the InChIKey of N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is QPGWPPRSUCIZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S.ClH/c13-10(9-6-15-7-12-9)11-5-8-3-1-2-4-14-8;/h8-9,12H,1-7H2,(H,11,13);1H.
What are the key properties of N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 266.79 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 91659376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).