N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride

C6H12Cl2N2S — CID 75485215

IUPACN-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
SMILESCCNCc1cscn1.Cl.Cl
InChIInChI=1S/C6H10N2S.2ClH/c1-2-7-3-6-4-9-5-8-6;;/h4-5,7H,2-3H2,1H3;2*1H
InChIKeyMGFOGVIYYMAJDC-UHFFFAOYSA-N
MW215.15 g/mol
LogP2.10
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride

N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride (PubChem CID 75485215) has the molecular formula C6H12Cl2N2S and a molecular weight of 215.15 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
PubChem CID75485215
Molecular FormulaC6H12Cl2N2S
Molecular Weight215.15 g/mol
Exact Mass214.01
IUPAC NameN-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
SMILESCCNCc1cscn1.Cl.Cl
InChIInChI=1S/C6H10N2S.2ClH/c1-2-7-3-6-4-9-5-8-6;;/h4-5,7H,2-3H2,1H3;2*1H
InChIKeyMGFOGVIYYMAJDC-UHFFFAOYSA-N
XLogP2.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
1-methyl-3-[2-(1,3-thiazol-4-ylmethylamino)ethyl]thiourea
CID 20557651
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115432832
ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate
CID 115616332

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride (CID 75485215) is N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride is CCNCc1cscn1.Cl.Cl.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride?
The InChIKey is MGFOGVIYYMAJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.2ClH/c1-2-7-3-6-4-9-5-8-6;;/h4-5,7H,2-3H2,1H3;2*1H.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride?
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride has a molecular weight of 215.15 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride is sourced from PubChem (CID 75485215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).