4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride

C6H13Cl2N3S — CID 47000696

IUPAC4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCN(C)c1nc(CN)cs1.Cl.Cl
InChIInChI=1S/C6H11N3S.2ClH/c1-9(2)6-8-5(3-7)4-10-6;;/h4H,3,7H2,1-2H3;2*1H
InChIKeyILMFKOWUROCUNT-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.51
Rot. Bonds2

About 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride

4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 47000696) has the molecular formula C6H13Cl2N3S and a molecular weight of 230.16 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID47000696
Molecular FormulaC6H13Cl2N3S
Molecular Weight230.16 g/mol
Exact Mass229.02
IUPAC Name4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCN(C)c1nc(CN)cs1.Cl.Cl
InChIInChI=1S/C6H11N3S.2ClH/c1-9(2)6-8-5(3-7)4-10-6;;/h4H,3,7H2,1-2H3;2*1H
InChIKeyILMFKOWUROCUNT-UHFFFAOYSA-N
XLogP1.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-1,3-thiazol-2-amine
CID 817030
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 44523097
4-[(Dimethylamino)methyl]-1,3-thiazol-2-amine
CID 351685
N,N,4-Trimethylthiazol-2-amine
CID 11564488
1-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane
CID 16787685
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 28948815
1-(4-Methyl-1,3-thiazol-2-yl)piperazine
CID 14479872
N''-(4-Methyl-1,3-thiazol-2-yl)guanidine--hydrogen chloride (1/1)
CID 2776665
4-(Isothiocyanatomethyl)-1,3-thiazol-2-amine
CID 14962242
N,N-Dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)thiourea
CID 3613328
N,N-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)methanimidamide
CID 16253076
4-(Aminomethyl)-1,3-thiazol-2-amine
CID 22401521

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride (CID 47000696) is 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride is CN(C)c1nc(CN)cs1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is ILMFKOWUROCUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S.2ClH/c1-9(2)6-8-5(3-7)4-10-6;;/h4H,3,7H2,1-2H3;2*1H.
What are the key properties of 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride?
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 230.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 47000696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).