N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C19H16FN5OS — CID 16953202

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)n(C)n1
InChIInChI=1S/C19H16FN5OS/c1-12-9-15(24(2)23-12)18(26)25(11-13-5-4-8-21-10-13)19-22-17-14(20)6-3-7-16(17)27-19/h3-10H,11H2,1-2H3
InChIKeyHRVBIFYEKQQLFG-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.72
Rot. Bonds4

About N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 16953202) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID16953202
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)n(C)n1
InChIInChI=1S/C19H16FN5OS/c1-12-9-15(24(2)23-12)18(26)25(11-13-5-4-8-21-10-13)19-22-17-14(20)6-3-7-16(17)27-19/h3-10H,11H2,1-2H3
InChIKeyHRVBIFYEKQQLFG-UHFFFAOYSA-N
XLogP3.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 16953202) is N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)n(C)n1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is HRVBIFYEKQQLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-12-9-15(24(2)23-12)18(26)25(11-13-5-4-8-21-10-13)19-22-17-14(20)6-3-7-16(17)27-19/h3-10H,11H2,1-2H3.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.72, 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)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 16953202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).