3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one

C10H16N2O3S — CID 46232203

IUPAC3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCN(CCO)CCO)c1nccs1
InChIInChI=1S/C10H16N2O3S/c13-6-4-12(5-7-14)3-1-9(15)10-11-2-8-16-10/h2,8,13-14H,1,3-7H2
InChIKeyNBPOWXPYXDHFKT-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.00
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one

3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 46232203) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID46232203
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCN(CCO)CCO)c1nccs1
InChIInChI=1S/C10H16N2O3S/c13-6-4-12(5-7-14)3-1-9(15)10-11-2-8-16-10/h2,8,13-14H,1,3-7H2
InChIKeyNBPOWXPYXDHFKT-UHFFFAOYSA-N
XLogP0.00
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(dimethylcarbamothioylsulfanylmethyl)-3-oxo-3-(1,3-thiazol-2-yl)propyl] N,N-dimethylcarbamodithioate
CID 73388875
3-[Tert-butyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232204
3-[2-Hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232205
3-[Butyl(2-hydroxyethyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one
CID 46232281
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232202
1-Propanone, 3-(dimethylamino)-1-(2-thiazolyl)-, hydrochloride
CID 214599
1-Butanone, 4-morpholino-1-(2-thiazolyl)-, hydrochloride
CID 214608
2-(4,5-Dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethan-1-one
CID 23644661
2-Morpholino-1-(thiazol-2-yl)ethanone hydrochloride
CID 71302586
2-(Morpholin-4-yl)-1-(1,3-thiazol-2-yl)ethan-1-one
CID 71302587
3-(Dimethylamino)-1-(1,3-thiazol-2-yl)propan-1-one
CID 214600
4-Morpholin-4-yl-1-(1,3-thiazol-2-yl)butan-1-one
CID 214609

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (CID 46232203) is 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is O=C(CCN(CCO)CCO)c1nccs1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is NBPOWXPYXDHFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-6-4-12(5-7-14)3-1-9(15)10-11-2-8-16-10/h2,8,13-14H,1,3-7H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 244.32 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 46232203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).