(4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone

C14H18N4OS — CID 20889809

IUPAC(4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C14H18N4OS/c1-11-12(13(19)17-9-7-16(2)8-10-17)20-14(15-11)18-5-3-4-6-18/h3-6H,7-10H2,1-2H3
InChIKeyOXYGPOMPCOHDMV-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.63
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone

(4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone (PubChem CID 20889809) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
PubChem CID20889809
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C14H18N4OS/c1-11-12(13(19)17-9-7-16(2)8-10-17)20-14(15-11)18-5-3-4-6-18/h3-6H,7-10H2,1-2H3
InChIKeyOXYGPOMPCOHDMV-UHFFFAOYSA-N
XLogP1.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone (CID 20889809) is (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is OXYGPOMPCOHDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-11-12(13(19)17-9-7-16(2)8-10-17)20-14(15-11)18-5-3-4-6-18/h3-6H,7-10H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 20889809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).