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

C13H17N3OS — CID 103382880

IUPAC2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1snc(N)c1-c1ccccc1
InChIInChI=1S/C13H17N3OS/c1-13(2,8-17)15-12-10(11(14)16-18-12)9-6-4-3-5-7-9/h3-7,15,17H,8H2,1-2H3,(H2,14,16)
InChIKeyKLSNKWYAZLDHAS-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.58
Rot. Bonds4

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

2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol (PubChem CID 103382880) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol
PubChem CID103382880
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1snc(N)c1-c1ccccc1
InChIInChI=1S/C13H17N3OS/c1-13(2,8-17)15-12-10(11(14)16-18-12)9-6-4-3-5-7-9/h3-7,15,17H,8H2,1-2H3,(H2,14,16)
InChIKeyKLSNKWYAZLDHAS-UHFFFAOYSA-N
XLogP2.58
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol (CID 103382880) is 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1snc(N)c1-c1ccccc1.
What is the InChIKey of 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol?
The InChIKey is KLSNKWYAZLDHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,8-17)15-12-10(11(14)16-18-12)9-6-4-3-5-7-9/h3-7,15,17H,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol?
2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 103382880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).