5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine

C13H24N4S — CID 105418372

IUPAC5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2(N(C)C)CCC2)sc1CN
InChIInChI=1S/C13H24N4S/c1-10-11(8-14)18-12(15-10)17(4)9-13(16(2)3)6-5-7-13/h5-9,14H2,1-4H3
InChIKeyMMCBHUBSCVSPGQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.83
Rot. Bonds5

About 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 105418372) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID105418372
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2(N(C)C)CCC2)sc1CN
InChIInChI=1S/C13H24N4S/c1-10-11(8-14)18-12(15-10)17(4)9-13(16(2)3)6-5-7-13/h5-9,14H2,1-4H3
InChIKeyMMCBHUBSCVSPGQ-UHFFFAOYSA-N
XLogP1.83
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 105418372) is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)CC2(N(C)C)CCC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is MMCBHUBSCVSPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10-11(8-14)18-12(15-10)17(4)9-13(16(2)3)6-5-7-13/h5-9,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 1.83, 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,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 105418372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).