5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine

C12H22N4S — CID 105418253

IUPAC5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1ncc(CN)s1
InChIInChI=1S/C12H22N4S/c1-15(2)12(5-4-6-12)9-16(3)11-14-8-10(7-13)17-11/h8H,4-7,9,13H2,1-3H3
InChIKeyFUWVAYXZQOXKBT-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.52
Rot. Bonds5

About 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 105418253) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID105418253
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1ncc(CN)s1
InChIInChI=1S/C12H22N4S/c1-15(2)12(5-4-6-12)9-16(3)11-14-8-10(7-13)17-11/h8H,4-7,9,13H2,1-3H3
InChIKeyFUWVAYXZQOXKBT-UHFFFAOYSA-N
XLogP1.52
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 105418273
5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 105418372
4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 105418585
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905303
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 105416018
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107380992
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,5-dimethylpyridine-2,4-diamine
CID 105414019
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62751541
4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 107055789
5-(aminomethyl)-N-cyclohexyl-N-ethyl-1,3-thiazol-2-amine
CID 62751674
N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 105418253) is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine is CN(CC1(N(C)C)CCC1)c1ncc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is FUWVAYXZQOXKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-15(2)12(5-4-6-12)9-16(3)11-14-8-10(7-13)17-11/h8H,4-7,9,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 105418253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).