2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C15H26N4O2S — CID 71878628

IUPAC2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCC1CN(C(C)C(=O)Nc2nccs2)CCN1CC(C)O
InChIInChI=1S/C15H26N4O2S/c1-4-13-10-18(6-7-19(13)9-11(2)20)12(3)14(21)17-15-16-5-8-22-15/h5,8,11-13,20H,4,6-7,9-10H2,1-3H3,(H,16,17,21)
InChIKeyGBYPBYUJYOJLSO-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.25
Rot. Bonds6

About 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71878628) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71878628
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCC1CN(C(C)C(=O)Nc2nccs2)CCN1CC(C)O
InChIInChI=1S/C15H26N4O2S/c1-4-13-10-18(6-7-19(13)9-11(2)20)12(3)14(21)17-15-16-5-8-22-15/h5,8,11-13,20H,4,6-7,9-10H2,1-3H3,(H,16,17,21)
InChIKeyGBYPBYUJYOJLSO-UHFFFAOYSA-N
XLogP1.25
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71928098
(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 98791286
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 100842922
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86773181
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95127937

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 71878628) is 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is CCC1CN(C(C)C(=O)Nc2nccs2)CCN1CC(C)O.
What is the InChIKey of 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GBYPBYUJYOJLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-4-13-10-18(6-7-19(13)9-11(2)20)12(3)14(21)17-15-16-5-8-22-15/h5,8,11-13,20H,4,6-7,9-10H2,1-3H3,(H,16,17,21).
What are the key properties of 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 326.47 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71878628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).