(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

C15H22N6OS — CID 129331274

IUPAC(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2cscn2)C[C@@H]1c1nccn1C
InChIInChI=1S/C15H22N6OS/c1-3-20-6-7-21(9-13(20)14-16-4-5-19(14)2)15(22)17-8-12-10-23-11-18-12/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,17,22)/t13-/m1/s1
InChIKeyJECHCEOBUQJLEB-CYBMUJFWSA-N
MW334.45 g/mol
LogP1.47
Rot. Bonds4

About (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 129331274) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
PubChem CID129331274
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2cscn2)C[C@@H]1c1nccn1C
InChIInChI=1S/C15H22N6OS/c1-3-20-6-7-21(9-13(20)14-16-4-5-19(14)2)15(22)17-8-12-10-23-11-18-12/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,17,22)/t13-/m1/s1
InChIKeyJECHCEOBUQJLEB-CYBMUJFWSA-N
XLogP1.47
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-4-ethyl-N-(furan-3-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129331566
(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129327735
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 128997791
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688
4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129006019
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 129007005
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 128995946
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973

Frequently Asked Questions

What is the IUPAC name of (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (CID 129331274) is (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is CCN1CCN(C(=O)NCc2cscn2)C[C@@H]1c1nccn1C.
What is the InChIKey of (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is JECHCEOBUQJLEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-3-20-6-7-21(9-13(20)14-16-4-5-19(14)2)15(22)17-8-12-10-23-11-18-12/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,17,22)/t13-/m1/s1.
What are the key properties of (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 129331274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).