N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide

C17H24N6OS — CID 127972367

IUPACN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1c1ncc[nH]1
InChIInChI=1S/C17H24N6OS/c1-2-22-7-8-23(10-14(22)16-18-5-6-19-16)17(24)20-9-15-21-13(11-25-15)12-3-4-12/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,18,19)(H,20,24)
InChIKeyZBOWVVAVIVJZEG-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.33
Rot. Bonds5

About N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide

N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide (PubChem CID 127972367) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide
PubChem CID127972367
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1c1ncc[nH]1
InChIInChI=1S/C17H24N6OS/c1-2-22-7-8-23(10-14(22)16-18-5-6-19-16)17(24)20-9-15-21-13(11-25-15)12-3-4-12/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,18,19)(H,20,24)
InChIKeyZBOWVVAVIVJZEG-UHFFFAOYSA-N
XLogP2.33
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

(3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 129328331
[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-[(3S)-3-hydroxythiolan-3-yl]methanone
CID 129327777
(3R)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-imidazol-1-ylethyl)piperazine-1-carboxamide
CID 129328776
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
3-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 129336485
[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129338372
(3R)-4-ethyl-3-(1H-imidazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129338783
4-ethyl-3-(1H-imidazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 128995556
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 128974600

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide (CID 127972367) is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1c1ncc[nH]1.
What is the InChIKey of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is ZBOWVVAVIVJZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-2-22-7-8-23(10-14(22)16-18-5-6-19-16)17(24)20-9-15-21-13(11-25-15)12-3-4-12/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,18,19)(H,20,24).
What are the key properties of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide?
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 127972367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).