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

C22H21F3N4O3S2 — CID 146726683

IUPAC1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3cnc(N4CCCS4(=O)=O)c(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C22H21F3N4O3S2/c1-12-28-19-18(14-3-4-14)15(11-27-21(19)33-12)9-16(30)7-13-8-17(22(23,24)25)20(26-10-13)29-5-2-6-34(29,31)32/h8,10-11,14H,2-7,9H2,1H3
InChIKeyRGNDSBWBWIBUAI-UHFFFAOYSA-N
MW510.56 g/mol
LogP4.19
Rot. Bonds6

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

1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one (PubChem CID 146726683) has the molecular formula C22H21F3N4O3S2 and a molecular weight of 510.56 g/mol. Its IUPAC name is 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-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-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
PubChem CID146726683
Molecular FormulaC22H21F3N4O3S2
Molecular Weight510.56 g/mol
Exact Mass510.10
IUPAC Name1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3cnc(N4CCCS4(=O)=O)c(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C22H21F3N4O3S2/c1-12-28-19-18(14-3-4-14)15(11-27-21(19)33-12)9-16(30)7-13-8-17(22(23,24)25)20(26-10-13)29-5-2-6-34(29,31)32/h8,10-11,14H,2-7,9H2,1H3
InChIKeyRGNDSBWBWIBUAI-UHFFFAOYSA-N
XLogP4.19
TPSA93.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.56
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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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-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-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-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one (CID 146726683) is 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-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-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-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-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one is Cc1nc2c(C3CC3)c(CC(=O)Cc3cnc(N4CCCS4(=O)=O)c(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-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The InChIKey is RGNDSBWBWIBUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3S2/c1-12-28-19-18(14-3-4-14)15(11-27-21(19)33-12)9-16(30)7-13-8-17(22(23,24)25)20(26-10-13)29-5-2-6-34(29,31)32/h8,10-11,14H,2-7,9H2,1H3.
What are the key properties of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one has a molecular weight of 510.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 146726683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).