1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol

C13H25N3OS — CID 111579157

IUPAC1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H25N3OS/c1-13(2,3)12-15-8-11(18-12)7-14-6-10(17)9-16(4)5/h8,10,14,17H,6-7,9H2,1-5H3
InChIKeyIGEOHBOYHWISDT-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.45
Rot. Bonds6

About 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol

1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol (PubChem CID 111579157) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol
PubChem CID111579157
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H25N3OS/c1-13(2,3)12-15-8-11(18-12)7-14-6-10(17)9-16(4)5/h8,10,14,17H,6-7,9H2,1-5H3
InChIKeyIGEOHBOYHWISDT-UHFFFAOYSA-N
XLogP1.45
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 55137613
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983884
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78975086
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82710745
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79254041
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664449
2-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845616
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114502
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol (CID 111579157) is 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol is CN(C)CC(O)CNCc1cnc(C(C)(C)C)s1.
What is the InChIKey of 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol?
The InChIKey is IGEOHBOYHWISDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-13(2,3)12-15-8-11(18-12)7-14-6-10(17)9-16(4)5/h8,10,14,17H,6-7,9H2,1-5H3.
What are the key properties of 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol?
1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 111579157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).