3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol

C14H19N3OS — CID 103383658

IUPAC3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3OS/c1-14(2,9-18)8-16-13-11(12(15)17-19-13)10-6-4-3-5-7-10/h3-7,16,18H,8-9H2,1-2H3,(H2,15,17)
InChIKeyVNXCQZBCXADNRO-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.82
Rot. Bonds5

About 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol

3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 103383658) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID103383658
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3OS/c1-14(2,9-18)8-16-13-11(12(15)17-19-13)10-6-4-3-5-7-10/h3-7,16,18H,8-9H2,1-2H3,(H2,15,17)
InChIKeyVNXCQZBCXADNRO-UHFFFAOYSA-N
XLogP2.82
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol 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 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol (CID 103383658) is 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1snc(N)c1-c1ccccc1.
What is the InChIKey of 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is VNXCQZBCXADNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-14(2,9-18)8-16-13-11(12(15)17-19-13)10-6-4-3-5-7-10/h3-7,16,18H,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 103383658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).