5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C13H24ClN3S — CID 120901371

IUPAC5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCC(C)(C)C1CCCN1Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-4-13(2,3)11-6-5-7-16(11)9-10-8-15-12(14)17-10;/h8,11H,4-7,9H2,1-3H3,(H2,14,15);1H
InChIKeyCFPBJROYTKMGGW-UHFFFAOYSA-N
MW289.88 g/mol
LogP3.55
Rot. Bonds4

About 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901371) has the molecular formula C13H24ClN3S and a molecular weight of 289.88 g/mol. Its IUPAC name is 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901371
Molecular FormulaC13H24ClN3S
Molecular Weight289.88 g/mol
Exact Mass289.14
IUPAC Name5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCC(C)(C)C1CCCN1Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-4-13(2,3)11-6-5-7-16(11)9-10-8-15-12(14)17-10;/h8,11H,4-7,9H2,1-3H3,(H2,14,15);1H
InChIKeyCFPBJROYTKMGGW-UHFFFAOYSA-N
XLogP3.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901300
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772441
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 120903792
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898876
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901371) is 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CCC(C)(C)C1CCCN1Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is CFPBJROYTKMGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.ClH/c1-4-13(2,3)11-6-5-7-16(11)9-10-8-15-12(14)17-10;/h8,11H,4-7,9H2,1-3H3,(H2,14,15);1H.
What are the key properties of 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 289.88 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).