1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one

C19H16F3N3OS — CID 160815177

IUPAC1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3cncc(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C19H16F3N3OS/c1-10-25-17-16(12-2-3-12)13(8-24-18(17)27-10)6-15(26)5-11-4-14(9-23-7-11)19(20,21)22/h4,7-9,12H,2-3,5-6H2,1H3
InChIKeySEURLRXRDBSEKY-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.65
Rot. Bonds5

About 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one

1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one (PubChem CID 160815177) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one
PubChem CID160815177
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3cncc(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C19H16F3N3OS/c1-10-25-17-16(12-2-3-12)13(8-24-18(17)27-10)6-15(26)5-11-4-14(9-23-7-11)19(20,21)22/h4,7-9,12H,2-3,5-6H2,1H3
InChIKeySEURLRXRDBSEKY-UHFFFAOYSA-N
XLogP4.65
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one (CID 160815177) is 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one is Cc1nc2c(C3CC3)c(CC(=O)Cc3cncc(C(F)(F)F)c3)cnc2s1.
What is the InChIKey of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The InChIKey is SEURLRXRDBSEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-10-25-17-16(12-2-3-12)13(8-24-18(17)27-10)6-15(26)5-11-4-14(9-23-7-11)19(20,21)22/h4,7-9,12H,2-3,5-6H2,1H3.
What are the key properties of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one has a molecular weight of 391.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 160815177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).