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

C6H10N2OS — CID 55255831

IUPAC3-amino-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESNC(CCO)c1cncs1
InChIInChI=1S/C6H10N2OS/c7-5(1-2-9)6-3-8-4-10-6/h3-5,9H,1-2,7H2
InChIKeyCAYOANSEYRZPBB-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.53
Rot. Bonds3

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

3-amino-3-(1,3-thiazol-5-yl)propan-1-ol (PubChem CID 55255831) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(1,3-thiazol-5-yl)propan-1-ol
PubChem CID55255831
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-amino-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESNC(CCO)c1cncs1
InChIInChI=1S/C6H10N2OS/c7-5(1-2-9)6-3-8-4-10-6/h3-5,9H,1-2,7H2
InChIKeyCAYOANSEYRZPBB-UHFFFAOYSA-N
XLogP0.53
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-5-yl)propan-1-amine
CID 67336934
3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 83816401
3-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-5-yl)propan-1-amine
CID 103011577
(1R)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151698
chloro(1,3-thiazol-5-yl)methanamine
CID 67926841
(1S)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151701
2-(1,3-thiazol-5-yl)propan-1-ol
CID 115091714
(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol
CID 58603986
2-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)ethanamine
CID 82398617
3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 55272447
(3S)-3-amino-3-(5-fluorothiophen-2-yl)propan-1-ol
CID 130898203
(2S,3R)-2-(2,6-difluorophenyl)-5-hydroxy-3-(1,3-thiazol-5-yl)pentanenitrile
CID 125495080

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol (CID 55255831) is 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol is NC(CCO)c1cncs1.
What is the InChIKey of 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is CAYOANSEYRZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c7-5(1-2-9)6-3-8-4-10-6/h3-5,9H,1-2,7H2.
What are the key properties of 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol?
3-amino-3-(1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 158.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 55255831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).