1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride

C8H13ClN2S — CID 167715845

IUPAC1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ncc(CNCC2CC2)s1
InChIInChI=1S/C8H12N2S.ClH/c1-2-7(1)3-9-4-8-5-10-6-11-8;/h5-7,9H,1-4H2;1H
InChIKeyQFHTXYRKJUQXDJ-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.06
Rot. Bonds4

About 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride

1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride (PubChem CID 167715845) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
PubChem CID167715845
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ncc(CNCC2CC2)s1
InChIInChI=1S/C8H12N2S.ClH/c1-2-7(1)3-9-4-8-5-10-6-11-8;/h5-7,9H,1-4H2;1H
InChIKeyQFHTXYRKJUQXDJ-UHFFFAOYSA-N
XLogP2.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 112644380
1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 114431418
1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 63899142
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
N-(1,3-thiazol-5-ylmethyl)hydroxylamine
CID 82687431
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 126917911
[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759472
[1-cyclopropyl-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105254030
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759084

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride (CID 167715845) is 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride is Cl.c1ncc(CNCC2CC2)s1.
What is the InChIKey of 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride?
The InChIKey is QFHTXYRKJUQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.ClH/c1-2-7(1)3-9-4-8-5-10-6-11-8;/h5-7,9H,1-4H2;1H.
What are the key properties of 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride?
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride has a molecular weight of 204.73 g/mol, XLogP of 2.06, 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-5-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 167715845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).