N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C19H16FN5OS — CID 16952601

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)nn1C
InChIInChI=1S/C19H16FN5OS/c1-12-8-16(23-24(12)2)18(26)25(11-13-4-3-7-21-10-13)19-22-15-6-5-14(20)9-17(15)27-19/h3-10H,11H2,1-2H3
InChIKeyPCZHGSWREKCYGR-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.72
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 16952601) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID16952601
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)nn1C
InChIInChI=1S/C19H16FN5OS/c1-12-8-16(23-24(12)2)18(26)25(11-13-4-3-7-21-10-13)19-22-15-6-5-14(20)9-17(15)27-19/h3-10H,11H2,1-2H3
InChIKeyPCZHGSWREKCYGR-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

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 16952601) is N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)nn1C.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is PCZHGSWREKCYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-12-8-16(23-24(12)2)18(26)25(11-13-4-3-7-21-10-13)19-22-15-6-5-14(20)9-17(15)27-19/h3-10H,11H2,1-2H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-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-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 16952601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).