(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

C19H24N4O2S2 — CID 16622774

IUPAC(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H24N4O2S2/c1-14-16(27-17(20-14)15-5-12-26-13-15)18(24)21-8-10-23(11-9-21)19(25)22-6-3-2-4-7-22/h5,12-13H,2-4,6-11H2,1H3
InChIKeyDOLNMZNWPZTRLC-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.54
Rot. Bonds2

About (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 16622774) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID16622774
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Name(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H24N4O2S2/c1-14-16(27-17(20-14)15-5-12-26-13-15)18(24)21-8-10-23(11-9-21)19(25)22-6-3-2-4-7-22/h5,12-13H,2-4,6-11H2,1H3
InChIKeyDOLNMZNWPZTRLC-UHFFFAOYSA-N
XLogP3.54
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (CID 16622774) is (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DOLNMZNWPZTRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-14-16(27-17(20-14)15-5-12-26-13-15)18(24)21-8-10-23(11-9-21)19(25)22-6-3-2-4-7-22/h5,12-13H,2-4,6-11H2,1H3.
What are the key properties of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone has a molecular weight of 404.56 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16622774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).