N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide

C19H14F3N5O3S — CID 142524411

IUPACN-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C19H14F3N5O3S/c1-27-9-11(7-24-27)13-8-23-17(29-2)14-15(13)31-18(25-14)26-16(28)10-3-5-12(6-4-10)30-19(20,21)22/h3-9H,1-2H3,(H,25,26,28)
InChIKeyDNGGFPJORIHKQO-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.25
Rot. Bonds5

About N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide

N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 142524411) has the molecular formula C19H14F3N5O3S and a molecular weight of 449.41 g/mol. Its IUPAC name is N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID142524411
Molecular FormulaC19H14F3N5O3S
Molecular Weight449.41 g/mol
Exact Mass449.08
IUPAC NameN-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C19H14F3N5O3S/c1-27-9-11(7-24-27)13-8-23-17(29-2)14-15(13)31-18(25-14)26-16(28)10-3-5-12(6-4-10)30-19(20,21)22/h3-9H,1-2H3,(H,25,26,28)
InChIKeyDNGGFPJORIHKQO-UHFFFAOYSA-N
XLogP4.25
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide (CID 142524411) is N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide is COc1ncc(-c2cnn(C)c2)c2sc(NC(=O)c3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DNGGFPJORIHKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O3S/c1-27-9-11(7-24-27)13-8-23-17(29-2)14-15(13)31-18(25-14)26-16(28)10-3-5-12(6-4-10)30-19(20,21)22/h3-9H,1-2H3,(H,25,26,28).
What are the key properties of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide?
N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 449.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 142524411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).