4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole

C19H19BrN6S — CID 59759779

IUPAC4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESCCCc1c(Cc2scnc2-c2ncccc2Br)ncn2nc(CC)nc12
InChIInChI=1S/C19H19BrN6S/c1-3-6-12-14(22-10-26-19(12)24-16(4-2)25-26)9-15-18(23-11-27-15)17-13(20)7-5-8-21-17/h5,7-8,10-11H,3-4,6,9H2,1-2H3
InChIKeySCMIGMADIVQDEI-UHFFFAOYSA-N
MW443.37 g/mol
LogP4.51
Rot. Bonds6

About 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole

4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole (PubChem CID 59759779) has the molecular formula C19H19BrN6S and a molecular weight of 443.37 g/mol. Its IUPAC name is 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
PubChem CID59759779
Molecular FormulaC19H19BrN6S
Molecular Weight443.37 g/mol
Exact Mass442.06
IUPAC Name4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESCCCc1c(Cc2scnc2-c2ncccc2Br)ncn2nc(CC)nc12
InChIInChI=1S/C19H19BrN6S/c1-3-6-12-14(22-10-26-19(12)24-16(4-2)25-26)9-15-18(23-11-27-15)17-13(20)7-5-8-21-17/h5,7-8,10-11H,3-4,6,9H2,1-2H3
InChIKeySCMIGMADIVQDEI-UHFFFAOYSA-N
XLogP4.51
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole (CID 59759779) is 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole is CCCc1c(Cc2scnc2-c2ncccc2Br)ncn2nc(CC)nc12.
What is the InChIKey of 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The InChIKey is SCMIGMADIVQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6S/c1-3-6-12-14(22-10-26-19(12)24-16(4-2)25-26)9-15-18(23-11-27-15)17-13(20)7-5-8-21-17/h5,7-8,10-11H,3-4,6,9H2,1-2H3.
What are the key properties of 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole has a molecular weight of 443.37 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-pyridinyl)-5-[(2-ethyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 59759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).