5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H23ClN4S — CID 120905303

IUPAC5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)CC1(N(C)C)CCC1.Cl
InChIInChI=1S/C12H22N4S.ClH/c1-15(2)12(5-4-6-12)9-16(3)8-10-7-14-11(13)17-10;/h7H,4-6,8-9H2,1-3H3,(H2,13,14);1H
InChIKeyUIPLAAXXMWFZGY-UHFFFAOYSA-N
MW290.86 g/mol
LogP2.06
Rot. Bonds5

About 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120905303) has the molecular formula C12H23ClN4S and a molecular weight of 290.86 g/mol. Its IUPAC name is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120905303
Molecular FormulaC12H23ClN4S
Molecular Weight290.86 g/mol
Exact Mass290.13
IUPAC Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)CC1(N(C)C)CCC1.Cl
InChIInChI=1S/C12H22N4S.ClH/c1-15(2)12(5-4-6-12)9-16(3)8-10-7-14-11(13)17-10;/h7H,4-6,8-9H2,1-3H3,(H2,13,14);1H
InChIKeyUIPLAAXXMWFZGY-UHFFFAOYSA-N
XLogP2.06
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.86
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120905303) is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1cnc(N)s1)CC1(N(C)C)CCC1.Cl.
What is the InChIKey of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is UIPLAAXXMWFZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S.ClH/c1-15(2)12(5-4-6-12)9-16(3)8-10-7-14-11(13)17-10;/h7H,4-6,8-9H2,1-3H3,(H2,13,14);1H.
What are the key properties of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 290.86 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120905303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).