1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride

C9H16Cl2N2S — CID 156620488

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride
SMILESCc1nc(CC2(N)CCC2)cs1.Cl.Cl
InChIInChI=1S/C9H14N2S.2ClH/c1-7-11-8(6-12-7)5-9(10)3-2-4-9;;/h6H,2-5,10H2,1H3;2*1H
InChIKeyXXUWCNDCQAOIEK-UHFFFAOYSA-N
MW255.21 g/mol
LogP2.72
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride

1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride (PubChem CID 156620488) has the molecular formula C9H16Cl2N2S and a molecular weight of 255.21 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride
PubChem CID156620488
Molecular FormulaC9H16Cl2N2S
Molecular Weight255.21 g/mol
Exact Mass254.04
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride
SMILESCc1nc(CC2(N)CCC2)cs1.Cl.Cl
InChIInChI=1S/C9H14N2S.2ClH/c1-7-11-8(6-12-7)5-9(10)3-2-4-9;;/h6H,2-5,10H2,1H3;2*1H
InChIKeyXXUWCNDCQAOIEK-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride (CID 156620488) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride is Cc1nc(CC2(N)CCC2)cs1.Cl.Cl.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is XXUWCNDCQAOIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.2ClH/c1-7-11-8(6-12-7)5-9(10)3-2-4-9;;/h6H,2-5,10H2,1H3;2*1H.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 255.21 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 156620488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).