(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H22N6OS — CID 71800047

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C19H22N6OS/c1-13-18(27-15(3)20-13)19(26)25-10-8-24(9-11-25)17-12-16(21-14(2)22-17)23-6-4-5-7-23/h4-7,12H,8-11H2,1-3H3
InChIKeyFLCKCZQDAWQJIA-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.61
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 71800047) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID71800047
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C19H22N6OS/c1-13-18(27-15(3)20-13)19(26)25-10-8-24(9-11-25)17-12-16(21-14(2)22-17)23-6-4-5-7-23/h4-7,12H,8-11H2,1-3H3
InChIKeyFLCKCZQDAWQJIA-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 71800047) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(-n2cccc2)n1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is FLCKCZQDAWQJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-13-18(27-15(3)20-13)19(26)25-10-8-24(9-11-25)17-12-16(21-14(2)22-17)23-6-4-5-7-23/h4-7,12H,8-11H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71800047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).