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

C7H12N2OS — CID 82411793

IUPAC4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESNCCC(O)Cc1cncs1
InChIInChI=1S/C7H12N2OS/c8-2-1-6(10)3-7-4-9-5-11-7/h4-6,10H,1-3,8H2
InChIKeyQJHOBBSAZODRFM-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.40
Rot. Bonds4

About 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol

4-amino-1-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 82411793) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID82411793
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESNCCC(O)Cc1cncs1
InChIInChI=1S/C7H12N2OS/c8-2-1-6(10)3-7-4-9-5-11-7/h4-6,10H,1-3,8H2
InChIKeyQJHOBBSAZODRFM-UHFFFAOYSA-N
XLogP0.40
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642497
1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123338
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123232
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
1-(2,6-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642505
3-(1,3-thiazol-5-ylmethylsulfanyl)butan-1-amine
CID 112640847
3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
CID 112642616

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol (CID 82411793) is 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol is NCCC(O)Cc1cncs1.
What is the InChIKey of 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is QJHOBBSAZODRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c8-2-1-6(10)3-7-4-9-5-11-7/h4-6,10H,1-3,8H2.
What are the key properties of 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol?
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 82411793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).