2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol

C7H12N2OS — CID 149444892

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1csc(N)n1
InChIInChI=1S/C7H12N2OS/c1-7(2,4-10)5-3-11-6(8)9-5/h3,10H,4H2,1-2H3,(H2,8,9)
InChIKeyYWMJKWXLDQJIAC-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.00
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol

2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol (PubChem CID 149444892) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
PubChem CID149444892
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1csc(N)n1
InChIInChI=1S/C7H12N2OS/c1-7(2,4-10)5-3-11-6(8)9-5/h3,10H,4H2,1-2H3,(H2,8,9)
InChIKeyYWMJKWXLDQJIAC-UHFFFAOYSA-N
XLogP1.00
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol (CID 149444892) is 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol is CC(C)(CO)c1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol?
The InChIKey is YWMJKWXLDQJIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-7(2,4-10)5-3-11-6(8)9-5/h3,10H,4H2,1-2H3,(H2,8,9).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol?
2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 149444892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).