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

C7H12N2OS — CID 130900773

IUPAC4-amino-2-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(O)(CCN)c1ccns1
InChIInChI=1S/C7H12N2OS/c1-7(10,3-4-8)6-2-5-9-11-6/h2,5,10H,3-4,8H2,1H3
InChIKeyRZXONWNFTGWQOC-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.70
Rot. Bonds3

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

4-amino-2-(1,2-thiazol-5-yl)butan-2-ol (PubChem CID 130900773) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(1,2-thiazol-5-yl)butan-2-ol
PubChem CID130900773
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-amino-2-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(O)(CCN)c1ccns1
InChIInChI=1S/C7H12N2OS/c1-7(10,3-4-8)6-2-5-9-11-6/h2,5,10H,3-4,8H2,1H3
InChIKeyRZXONWNFTGWQOC-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-(1,2-Thiazol-5-yl)azetidin-3-ol
CID 131220900
1,1-Bis(1,2-thiazol-5-yl)ethan-1-ol
CID 27282123
2-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
2-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130840879
2,2-Dimethyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130856978
1-Piperidin-3-yl-1-(1,2-thiazol-5-yl)ethanol
CID 130914163
3,3-Dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130914175
1-(2-Methylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130917862
3-Amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 130927731
1-Cyclobutyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130942693

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol (CID 130900773) is 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol is CC(O)(CCN)c1ccns1.
What is the InChIKey of 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is RZXONWNFTGWQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-7(10,3-4-8)6-2-5-9-11-6/h2,5,10H,3-4,8H2,1H3.
What are the key properties of 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol?
4-amino-2-(1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 130900773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).