1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol

C8H14N2OS — CID 79819993

IUPAC1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCCNCC(O)Cc1nccs1
InChIInChI=1S/C8H14N2OS/c1-2-9-6-7(11)5-8-10-3-4-12-8/h3-4,7,9,11H,2,5-6H2,1H3
InChIKeyGFOVVCXBGSJYPR-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.66
Rot. Bonds5

About 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol

1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79819993) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID79819993
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCCNCC(O)Cc1nccs1
InChIInChI=1S/C8H14N2OS/c1-2-9-6-7(11)5-8-10-3-4-12-8/h3-4,7,9,11H,2,5-6H2,1H3
InChIKeyGFOVVCXBGSJYPR-UHFFFAOYSA-N
XLogP0.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79823797
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 105115330
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
methyl 2-(1,3-thiazol-2-ylmethyl)butanoate
CID 79823968
2-N-ethyl-1-N,1-N-dimethyl-3-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 79823508

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol (CID 79819993) is 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol is CCNCC(O)Cc1nccs1.
What is the InChIKey of 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is GFOVVCXBGSJYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-9-6-7(11)5-8-10-3-4-12-8/h3-4,7,9,11H,2,5-6H2,1H3.
What are the key properties of 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol?
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79819993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).