5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C11H20ClN3S — CID 120903534

IUPAC5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1CN(Cc2cnc(N)s2)C(C)(C)C1.Cl
InChIInChI=1S/C11H19N3S.ClH/c1-8-4-11(2,3)14(6-8)7-9-5-13-10(12)15-9;/h5,8H,4,6-7H2,1-3H3,(H2,12,13);1H
InChIKeyJXIMXQYJEZOGEK-UHFFFAOYSA-N
MW261.82 g/mol
LogP2.77
Rot. Bonds2

About 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903534) has the molecular formula C11H20ClN3S and a molecular weight of 261.82 g/mol. Its IUPAC name is 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903534
Molecular FormulaC11H20ClN3S
Molecular Weight261.82 g/mol
Exact Mass261.11
IUPAC Name5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1CN(Cc2cnc(N)s2)C(C)(C)C1.Cl
InChIInChI=1S/C11H19N3S.ClH/c1-8-4-11(2,3)14(6-8)7-9-5-13-10(12)15-9;/h5,8H,4,6-7H2,1-3H3,(H2,12,13);1H
InChIKeyJXIMXQYJEZOGEK-UHFFFAOYSA-N
XLogP2.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120900644
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
CID 120902936
5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120903354
5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903964
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526
5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902344
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride
CID 120901018
5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905406
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120902228

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903534) is 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC1CN(Cc2cnc(N)s2)C(C)(C)C1.Cl.
What is the InChIKey of 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JXIMXQYJEZOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S.ClH/c1-8-4-11(2,3)14(6-8)7-9-5-13-10(12)15-9;/h5,8H,4,6-7H2,1-3H3,(H2,12,13);1H.
What are the key properties of 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 261.82 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).