4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine

C16H30N4S — CID 105418585

IUPAC4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1nc(CNC(C)(C)C)cs1
InChIInChI=1S/C16H30N4S/c1-15(2,3)17-10-13-11-21-14(18-13)20(6)12-16(19(4)5)8-7-9-16/h11,17H,7-10,12H2,1-6H3
InChIKeyNQGNBUVOVLOZBF-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.95
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine

4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 105418585) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID105418585
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1nc(CNC(C)(C)C)cs1
InChIInChI=1S/C16H30N4S/c1-15(2,3)17-10-13-11-21-14(18-13)20(6)12-16(19(4)5)8-7-9-16/h11,17H,7-10,12H2,1-6H3
InChIKeyNQGNBUVOVLOZBF-UHFFFAOYSA-N
XLogP2.95
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 105418585) is 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine is CN(CC1(N(C)C)CCC1)c1nc(CNC(C)(C)C)cs1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is NQGNBUVOVLOZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-15(2,3)17-10-13-11-21-14(18-13)20(6)12-16(19(4)5)8-7-9-16/h11,17H,7-10,12H2,1-6H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 105418585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).