3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol

C7H12N2OS — CID 131001966

IUPAC3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
SMILESCC(CN)C(O)c1ccns1
InChIInChI=1S/C7H12N2OS/c1-5(4-8)7(10)6-2-3-9-11-6/h2-3,5,7,10H,4,8H2,1H3
InChIKeyJHTTWGPBOLJYGN-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.77
Rot. Bonds3

About 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol

3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol (PubChem CID 131001966) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
PubChem CID131001966
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
SMILESCC(CN)C(O)c1ccns1
InChIInChI=1S/C7H12N2OS/c1-5(4-8)7(10)6-2-3-9-11-6/h2-3,5,7,10H,4,8H2,1H3
InChIKeyJHTTWGPBOLJYGN-UHFFFAOYSA-N
XLogP0.77
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol (CID 131001966) is 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol is CC(CN)C(O)c1ccns1.
What is the InChIKey of 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is JHTTWGPBOLJYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(4-8)7(10)6-2-3-9-11-6/h2-3,5,7,10H,4,8H2,1H3.
What are the key properties of 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol?
3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 131001966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).