1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride

C7H14Cl2N2S — CID 178190269

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1nc(C)c(C)s1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-5-6(2)10-7(9-5)4-8-3;;/h8H,4H2,1-3H3;2*1H
InChIKeyDDAMTCGDVQGWAU-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.32
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride (PubChem CID 178190269) has the molecular formula C7H14Cl2N2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
PubChem CID178190269
Molecular FormulaC7H14Cl2N2S
Molecular Weight229.18 g/mol
Exact Mass228.03
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1nc(C)c(C)s1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-5-6(2)10-7(9-5)4-8-3;;/h8H,4H2,1-3H3;2*1H
InChIKeyDDAMTCGDVQGWAU-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718437
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 79017994
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 106841669
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115567823
4-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 83188013
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 83176829
3-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110091
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106176425
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065703
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454583

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride (CID 178190269) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride is CNCc1nc(C)c(C)s1.Cl.Cl.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride?
The InChIKey is DDAMTCGDVQGWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.2ClH/c1-5-6(2)10-7(9-5)4-8-3;;/h8H,4H2,1-3H3;2*1H.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride has a molecular weight of 229.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 178190269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).