2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole

C16H15F3N6S — CID 171334425

IUPAC2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2CCN(c3ncnc4cnccc34)CC2)n1
InChIInChI=1S/C16H15F3N6S/c17-16(18,19)13-9-26-14(23-13)8-24-3-5-25(6-4-24)15-11-1-2-20-7-12(11)21-10-22-15/h1-2,7,9-10H,3-6,8H2
InChIKeySNKSYQBXVSTWJI-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.82
Rot. Bonds3

About 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 171334425) has the molecular formula C16H15F3N6S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID171334425
Molecular FormulaC16H15F3N6S
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2CCN(c3ncnc4cnccc34)CC2)n1
InChIInChI=1S/C16H15F3N6S/c17-16(18,19)13-9-26-14(23-13)8-24-3-5-25(6-4-24)15-11-1-2-20-7-12(11)21-10-22-15/h1-2,7,9-10H,3-6,8H2
InChIKeySNKSYQBXVSTWJI-UHFFFAOYSA-N
XLogP2.82
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 171334425) is 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(CN2CCN(c3ncnc4cnccc34)CC2)n1.
What is the InChIKey of 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SNKSYQBXVSTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6S/c17-16(18,19)13-9-26-14(23-13)8-24-3-5-25(6-4-24)15-11-1-2-20-7-12(11)21-10-22-15/h1-2,7,9-10H,3-6,8H2.
What are the key properties of 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 380.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171334425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).