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

C15H29N3S — CID 62421494

IUPACN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C15H29N3S/c1-7-12(2)9-18(6)10-13-11-19-14(17-13)8-16-15(3,4)5/h11-12,16H,7-10H2,1-6H3
InChIKeyPSUCGELWAUQKSU-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.51
Rot. Bonds7

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

N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine (PubChem CID 62421494) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
PubChem CID62421494
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C15H29N3S/c1-7-12(2)9-18(6)10-13-11-19-14(17-13)8-16-15(3,4)5/h11-12,16H,7-10H2,1-6H3
InChIKeyPSUCGELWAUQKSU-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine (CID 62421494) is N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)Cc1csc(CNC(C)(C)C)n1.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is PSUCGELWAUQKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-7-12(2)9-18(6)10-13-11-19-14(17-13)8-16-15(3,4)5/h11-12,16H,7-10H2,1-6H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine?
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62421494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).