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

C7H12N2OS — CID 164658383

IUPAC3-amino-1-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(N)C(O)Cc1ccns1
InChIInChI=1S/C7H12N2OS/c1-5(8)7(10)4-6-2-3-9-11-6/h2-3,5,7,10H,4,8H2,1H3
InChIKeyYICAZSHJFCNFAI-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.39
Rot. Bonds3

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

3-amino-1-(1,2-thiazol-5-yl)butan-2-ol (PubChem CID 164658383) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1-(1,2-thiazol-5-yl)butan-2-ol
PubChem CID164658383
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-amino-1-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(N)C(O)Cc1ccns1
InChIInChI=1S/C7H12N2OS/c1-5(8)7(10)4-6-2-3-9-11-6/h2-3,5,7,10H,4,8H2,1H3
InChIKeyYICAZSHJFCNFAI-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-Thiazol-5-yl)butan-1-ol
CID 165722927
2-Amino-3-(1,2-thiazol-5-yl)propan-1-ol;hydrochloride
CID 55254257
2-Amino-3-(1,2-thiazol-5-yl)propan-1-ol
CID 55254258
2-(1,2-Thiazol-5-yl)ethan-1-ol
CID 56924619
3-(1,2-Thiazol-5-yl)butan-2-ol
CID 130801038
2-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130840879
2-Methoxy-2-methyl-1-(1,2-thiazol-5-yl)propan-1-amine
CID 130855938
4-(1,2-Thiazol-5-yl)butan-2-ol
CID 130914167
3-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 131001966
3-Amino-1-(1,2-thiazol-5-yl)propan-1-ol
CID 131148747
[2-Methoxy-1-(1,2-thiazol-5-yl)ethyl]hydrazine
CID 131227076
3-Amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol
CID 164652909

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol (CID 164658383) is 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol is CC(N)C(O)Cc1ccns1.
What is the InChIKey of 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is YICAZSHJFCNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(8)7(10)4-6-2-3-9-11-6/h2-3,5,7,10H,4,8H2,1H3.
What are the key properties of 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol?
3-amino-1-(1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 164658383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).