N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride

C6H14Cl2N2OS — CID 74892089

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
SMILESCNCc1csc(C)n1.Cl.Cl.O
InChIInChI=1S/C6H10N2S.2ClH.H2O/c1-5-8-6(3-7-2)4-9-5;;;/h4,7H,3H2,1-2H3;2*1H;1H2
InChIKeyOIZTXOYAJACMKI-UHFFFAOYSA-N
MW233.16 g/mol
LogP1.19
Rot. Bonds2

About N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride (PubChem CID 74892089) has the molecular formula C6H14Cl2N2OS and a molecular weight of 233.16 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
PubChem CID74892089
Molecular FormulaC6H14Cl2N2OS
Molecular Weight233.16 g/mol
Exact Mass232.02
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
SMILESCNCc1csc(C)n1.Cl.Cl.O
InChIInChI=1S/C6H10N2S.2ClH.H2O/c1-5-8-6(3-7-2)4-9-5;;;/h4,7H,3H2,1-2H3;2*1H;1H2
InChIKeyOIZTXOYAJACMKI-UHFFFAOYSA-N
XLogP1.19
TPSA56.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 84764244
N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 131187124
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride (CID 74892089) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride is CNCc1csc(C)n1.Cl.Cl.O.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride?
The InChIKey is OIZTXOYAJACMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.2ClH.H2O/c1-5-8-6(3-7-2)4-9-5;;;/h4,7H,3H2,1-2H3;2*1H;1H2.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride has a molecular weight of 233.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride is sourced from PubChem (CID 74892089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).