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

C16H30N4S — CID 105418273

IUPAC5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C16H30N4S/c1-15(2,3)18-11-13-10-17-14(21-13)20(6)12-16(19(4)5)8-7-9-16/h10,18H,7-9,11-12H2,1-6H3
InChIKeyTXOJSMQRHJMJEP-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.95
Rot. Bonds6

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

5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 105418273) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID105418273
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C16H30N4S/c1-15(2,3)18-11-13-10-17-14(21-13)20(6)12-16(19(4)5)8-7-9-16/h10,18H,7-9,11-12H2,1-6H3
InChIKeyTXOJSMQRHJMJEP-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 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 105418273) is 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine is CN(CC1(N(C)C)CCC1)c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is TXOJSMQRHJMJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-15(2,3)18-11-13-10-17-14(21-13)20(6)12-16(19(4)5)8-7-9-16/h10,18H,7-9,11-12H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine?
5-[(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 5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 105418273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).