N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C18H14FN5OS — CID 25284542

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C18H14FN5OS/c1-23-14(8-10-21-23)17(25)24(11-12-5-2-3-9-20-12)18-22-16-13(19)6-4-7-15(16)26-18/h2-10H,11H2,1H3
InChIKeyJHKKUFSOGRSIFQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.41
Rot. Bonds4

About N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 25284542) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID25284542
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C18H14FN5OS/c1-23-14(8-10-21-23)17(25)24(11-12-5-2-3-9-20-12)18-22-16-13(19)6-4-7-15(16)26-18/h2-10H,11H2,1H3
InChIKeyJHKKUFSOGRSIFQ-UHFFFAOYSA-N
XLogP3.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 25284542) is N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is JHKKUFSOGRSIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS/c1-23-14(8-10-21-23)17(25)24(11-12-5-2-3-9-20-12)18-22-16-13(19)6-4-7-15(16)26-18/h2-10H,11H2,1H3.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 25284542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).