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

C11H20N2OS — CID 79823797

IUPAC4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1nccs1
InChIInChI=1S/C11H20N2OS/c1-3-13(4-2)7-5-10(14)9-11-12-6-8-15-11/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyFNDUTJWEUWVTIC-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.78
Rot. Bonds7

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

4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 79823797) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID79823797
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1nccs1
InChIInChI=1S/C11H20N2OS/c1-3-13(4-2)7-5-10(14)9-11-12-6-8-15-11/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyFNDUTJWEUWVTIC-UHFFFAOYSA-N
XLogP1.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol
CID 79087656
4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
CID 79087937
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564
3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
CID 116711385
5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 105115330
4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79086786
1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol
CID 104610440
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol (CID 79823797) is 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol is CCN(CC)CCC(O)Cc1nccs1.
What is the InChIKey of 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is FNDUTJWEUWVTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-13(4-2)7-5-10(14)9-11-12-6-8-15-11/h6,8,10,14H,3-5,7,9H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol?
4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 79823797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).