N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C9H19ClN2OS — CID 54592552

IUPACN-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)C(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-6(2)7(3)11-9(12)8-4-13-5-10-8;/h6-8,10H,4-5H2,1-3H3,(H,11,12);1H
InChIKeyZRHSVZWPFVBEDP-UHFFFAOYSA-N
MW238.78 g/mol
LogP1.23
Rot. Bonds3

About N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 54592552) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID54592552
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC NameN-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)C(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-6(2)7(3)11-9(12)8-4-13-5-10-8;/h6-8,10H,4-5H2,1-3H3,(H,11,12);1H
InChIKeyZRHSVZWPFVBEDP-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

H-D-Thz-Leu-Gly-NH2
CID 90675113
(2S)-2-[4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9877970
(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 11436159
H-Thz-Leu-Gly-NH2
CID 73356022
N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 43263478
N-(butan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002788
N-butyl-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002789
N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002791
N-cyclopropyl-N-methyl-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002810
2-Amino-4-(methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one hydrochloride
CID 119261736
N,N-dimethyl-2-((2-methylpropyl)amino)-4-(methylsulfanyl)butanamide hydrochloride
CID 165671529
N-t-butyl-3-methyl-2-(2-oxo-tetrahydro-thiophen-3-ylamino)-butyramide
CID 59159381

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 54592552) is N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)C(C)NC(=O)C1CSCN1.Cl.
What is the InChIKey of N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is ZRHSVZWPFVBEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-6(2)7(3)11-9(12)8-4-13-5-10-8;/h6-8,10H,4-5H2,1-3H3,(H,11,12);1H.
What are the key properties of N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 54592552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).