2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride

C12H22ClN3S — CID 120848647

IUPAC2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
SMILESCc1nc([C@H]2CCCN2CC(C)(C)N)cs1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-9-14-10(7-16-9)11-5-4-6-15(11)8-12(2,3)13;/h7,11H,4-6,8,13H2,1-3H3;1H/t11-;/m1./s1
InChIKeyBOCPRIQTOLWWKQ-RFVHGSKJSA-N
MW275.85 g/mol
LogP2.75
Rot. Bonds3

About 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride

2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride (PubChem CID 120848647) has the molecular formula C12H22ClN3S and a molecular weight of 275.85 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
PubChem CID120848647
Molecular FormulaC12H22ClN3S
Molecular Weight275.85 g/mol
Exact Mass275.12
IUPAC Name2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
SMILESCc1nc([C@H]2CCCN2CC(C)(C)N)cs1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-9-14-10(7-16-9)11-5-4-6-15(11)8-12(2,3)13;/h7,11H,4-6,8,13H2,1-3H3;1H/t11-;/m1./s1
InChIKeyBOCPRIQTOLWWKQ-RFVHGSKJSA-N
XLogP2.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyano-1-cyclopropylethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]acetamide
CID 136533412
ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120857828
1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
CID 136533413
1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120855842
5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one
CID 138052388
1-[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 120852117
4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 125138191
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066037
[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
CID 127920280
N,N-dimethyl-6-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 124976389
4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 167992321
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride (CID 120848647) is 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride is Cc1nc([C@H]2CCCN2CC(C)(C)N)cs1.Cl.
What is the InChIKey of 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The InChIKey is BOCPRIQTOLWWKQ-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H21N3S.ClH/c1-9-14-10(7-16-9)11-5-4-6-15(11)8-12(2,3)13;/h7,11H,4-6,8,13H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride?
2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride has a molecular weight of 275.85 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120848647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).