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

C19H19F3N6OS — CID 91631588

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H19F3N6OS/c1-12-16(30-18(23-12)28-5-3-4-6-28)17(29)27-9-7-26(8-10-27)15-11-14(19(20,21)22)24-13(2)25-15/h3-6,11H,7-10H2,1-2H3
InChIKeyXQHRAJVIFGFJAD-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.32
Rot. Bonds3

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

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631588) has the molecular formula C19H19F3N6OS and a molecular weight of 436.46 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631588
Molecular FormulaC19H19F3N6OS
Molecular Weight436.46 g/mol
Exact Mass436.13
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H19F3N6OS/c1-12-16(30-18(23-12)28-5-3-4-6-28)17(29)27-9-7-26(8-10-27)15-11-14(19(20,21)22)24-13(2)25-15/h3-6,11H,7-10H2,1-2H3
InChIKeyXQHRAJVIFGFJAD-UHFFFAOYSA-N
XLogP3.32
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-(1H-pyrrol-1-yl)thiazol-4-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 45505176
4-methyl-2-(1H-pyrrol-1-yl)-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)thiazole-5-carboxamide
CID 91631381
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 38343295
(4-Methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 56168533
(4-Pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 84556925
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 86860143
(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092521
[4-Methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110676674
(4-Methylthiazol-5-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 119102260
(2,4-Dimethylthiazol-5-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 121180557
2,4-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 122152850
(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)methanone
CID 122258231

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631588) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is XQHRAJVIFGFJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6OS/c1-12-16(30-18(23-12)28-5-3-4-6-28)17(29)27-9-7-26(8-10-27)15-11-14(19(20,21)22)24-13(2)25-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 436.46 g/mol, XLogP of 3.32, 3 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-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).