N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide

C13H20N4O2S — CID 136524578

IUPACN-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CCc2nccs2)CC1
InChIInChI=1S/C13H20N4O2S/c1-2-14-13(19)17-8-6-16(7-9-17)12(18)4-3-11-15-5-10-20-11/h5,10H,2-4,6-9H2,1H3,(H,14,19)
InChIKeyDCRZQAXYZKACGY-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.95
Rot. Bonds4

About N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide

N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide (PubChem CID 136524578) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide
PubChem CID136524578
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CCc2nccs2)CC1
InChIInChI=1S/C13H20N4O2S/c1-2-14-13(19)17-8-6-16(7-9-17)12(18)4-3-11-15-5-10-20-11/h5,10H,2-4,6-9H2,1H3,(H,14,19)
InChIKeyDCRZQAXYZKACGY-UHFFFAOYSA-N
XLogP0.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363
4-(azepan-1-yl)-4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 135099676
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 96500899
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388329
(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one
CID 129345042
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;dihydrochloride
CID 120807012
4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120608383
1-(1,3-thiazol-2-yl)pentan-3-one
CID 58326627
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
4-(2-methylpropanoyl)-N-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 146075678
4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 49487207

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide (CID 136524578) is N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)CCc2nccs2)CC1.
What is the InChIKey of N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide?
The InChIKey is DCRZQAXYZKACGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-14-13(19)17-8-6-16(7-9-17)12(18)4-3-11-15-5-10-20-11/h5,10H,2-4,6-9H2,1H3,(H,14,19).
What are the key properties of N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide?
N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 136524578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).