[(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride

C7H12Cl2N2S — CID 170914085

IUPAC[(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@@H]1C[C@H]1c1cscn1
InChIInChI=1S/C7H10N2S.2ClH/c8-2-5-1-6(5)7-3-10-4-9-7;;/h3-6H,1-2,8H2;2*1H/t5-,6+;;/m0../s1
InChIKeyAROLPUPHYVQSGQ-KXSOTYCDSA-N
MW227.16 g/mol
LogP2.05
Rot. Bonds2

About [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride

[(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride (PubChem CID 170914085) has the molecular formula C7H12Cl2N2S and a molecular weight of 227.16 g/mol. Its IUPAC name is [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride
PubChem CID170914085
Molecular FormulaC7H12Cl2N2S
Molecular Weight227.16 g/mol
Exact Mass226.01
IUPAC Name[(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@@H]1C[C@H]1c1cscn1
InChIInChI=1S/C7H10N2S.2ClH/c8-2-5-1-6(5)7-3-10-4-9-7;;/h3-6H,1-2,8H2;2*1H/t5-,6+;;/m0../s1
InChIKeyAROLPUPHYVQSGQ-KXSOTYCDSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine
CID 130488627
2-(1,3-thiazol-4-yl)cyclopentan-1-ol
CID 127011648
[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanamine
CID 94556777
2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde
CID 87394991
1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride
CID 175802168
3-cyclobutyl-4-(1,3-thiazol-4-yl)azetidin-2-one
CID 131138402
[(2S,4S)-4-fluoro-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 130608585
[(1R,2R)-2-(2-bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572752
[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
CID 94556817
2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine
CID 96632232
[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
CID 146026791
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride?
The IUPAC name of [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride (CID 170914085) is [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride.
What is the SMILES notation for [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride?
The canonical SMILES for [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride is Cl.Cl.NC[C@@H]1C[C@H]1c1cscn1.
What is the InChIKey of [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride?
The InChIKey is AROLPUPHYVQSGQ-KXSOTYCDSA-N. The full InChI is InChI=1S/C7H10N2S.2ClH/c8-2-5-1-6(5)7-3-10-4-9-7;;/h3-6H,1-2,8H2;2*1H/t5-,6+;;/m0../s1.
What are the key properties of [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride?
[(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride has a molecular weight of 227.16 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride is sourced from PubChem (CID 170914085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).