(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C19H23N5O2S — CID 71792940

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1
InChIInChI=1S/C19H23N5O2S/c1-12(2)16-21-22-17(26-16)14-6-10-23(11-7-14)18(25)15-13(3)20-19(27-15)24-8-4-5-9-24/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3
InChIKeyGIDMTDHFZQQPHT-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.77
Rot. Bonds4

About (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 71792940) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID71792940
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1
InChIInChI=1S/C19H23N5O2S/c1-12(2)16-21-22-17(26-16)14-6-10-23(11-7-14)18(25)15-13(3)20-19(27-15)24-8-4-5-9-24/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3
InChIKeyGIDMTDHFZQQPHT-UHFFFAOYSA-N
XLogP3.77
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
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[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
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[(7S)-7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 129357899
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
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[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 90641407
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 90564393
N-(2-methoxyethyl)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121073628
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110421376
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
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[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 42571680

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 71792940) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GIDMTDHFZQQPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12(2)16-21-22-17(26-16)14-6-10-23(11-7-14)18(25)15-13(3)20-19(27-15)24-8-4-5-9-24/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3.
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 385.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71792940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).