[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C17H28N4O2S — CID 77085528

IUPAC[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCN(CCN3CCOCC3)CC2)cs1
InChIInChI=1S/C17H28N4O2S/c1-2-3-16-18-15(14-24-16)17(22)21-8-6-19(7-9-21)4-5-20-10-12-23-13-11-20/h14H,2-13H2,1H3
InChIKeyXHSUHZHATODPNQ-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.19
Rot. Bonds6

About [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 77085528) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID77085528
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCN(CCN3CCOCC3)CC2)cs1
InChIInChI=1S/C17H28N4O2S/c1-2-3-16-18-15(14-24-16)17(22)21-8-6-19(7-9-21)4-5-20-10-12-23-13-11-20/h14H,2-13H2,1H3
InChIKeyXHSUHZHATODPNQ-UHFFFAOYSA-N
XLogP1.19
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085
(2-propyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70735530
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 141208836
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 119860162
[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72885837
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide
CID 82515196
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72862783
3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886086
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119869103
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 50960264
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride
CID 120640636

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 77085528) is [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCN(CCN3CCOCC3)CC2)cs1.
What is the InChIKey of [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is XHSUHZHATODPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-2-3-16-18-15(14-24-16)17(22)21-8-6-19(7-9-21)4-5-20-10-12-23-13-11-20/h14H,2-13H2,1H3.
What are the key properties of [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 352.50 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 77085528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).