(4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone

C19H25N3O4S — CID 29112011

IUPAC(4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1cc(-c2nc(C)c(C(=O)N3CCN(C)CC3)s2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O4S/c1-12-17(19(23)22-8-6-21(2)7-9-22)27-18(20-12)13-10-14(24-3)16(26-5)15(11-13)25-4/h10-11H,6-9H2,1-5H3
InChIKeyWWAJCFRSJYCPHO-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.53
Rot. Bonds5

About (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone

(4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone (PubChem CID 29112011) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone
PubChem CID29112011
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name(4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1cc(-c2nc(C)c(C(=O)N3CCN(C)CC3)s2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O4S/c1-12-17(19(23)22-8-6-21(2)7-9-22)27-18(20-12)13-10-14(24-3)16(26-5)15(11-13)25-4/h10-11H,6-9H2,1-5H3
InChIKeyWWAJCFRSJYCPHO-UHFFFAOYSA-N
XLogP2.53
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone (CID 29112011) is (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone is COc1cc(-c2nc(C)c(C(=O)N3CCN(C)CC3)s2)cc(OC)c1OC.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is WWAJCFRSJYCPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-12-17(19(23)22-8-6-21(2)7-9-22)27-18(20-12)13-10-14(24-3)16(26-5)15(11-13)25-4/h10-11H,6-9H2,1-5H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone?
(4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 391.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 29112011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).