1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride

C8H14Cl2N2S — CID 155973425

IUPAC1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.c1csc(CNCC2CC2)n1
InChIInChI=1S/C8H12N2S.2ClH/c1-2-7(1)5-9-6-8-10-3-4-11-8;;/h3-4,7,9H,1-2,5-6H2;2*1H
InChIKeyHLBVTNLZFMUIOO-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.49
Rot. Bonds4

About 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride

1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride (PubChem CID 155973425) has the molecular formula C8H14Cl2N2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
PubChem CID155973425
Molecular FormulaC8H14Cl2N2S
Molecular Weight241.19 g/mol
Exact Mass240.03
IUPAC Name1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.c1csc(CNCC2CC2)n1
InChIInChI=1S/C8H12N2S.2ClH/c1-2-7(1)5-9-6-8-10-3-4-11-8;;/h3-4,7,9H,1-2,5-6H2;2*1H
InChIKeyHLBVTNLZFMUIOO-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125249
[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine
CID 79533036
1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63006342
1-(oxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284247
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845
2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46784228
1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63002116
2-cyclopropyl-N-[5,5-dioxo-2-[(1,3-thiazol-2-ylmethylamino)methyl]-5λ6-thiaspiro[3.5]nonan-8-yl]acetamide
CID 167849900
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666
1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 79978937
1-[(7R)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97382394
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115614958

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride?
The IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride (CID 155973425) is 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride?
The canonical SMILES for 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride is Cl.Cl.c1csc(CNCC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride?
The InChIKey is HLBVTNLZFMUIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.2ClH/c1-2-7(1)5-9-6-8-10-3-4-11-8;;/h3-4,7,9H,1-2,5-6H2;2*1H.
What are the key properties of 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride?
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride has a molecular weight of 241.19 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride is sourced from PubChem (CID 155973425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).