N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

C19H14F2N4OS — CID 25284739

IUPACN-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(Cc2ccccc2)c2nc3c(F)cc(F)cc3s2)n1
InChIInChI=1S/C19H14F2N4OS/c1-24-8-7-15(23-24)18(26)25(11-12-5-3-2-4-6-12)19-22-17-14(21)9-13(20)10-16(17)27-19/h2-10H,11H2,1H3
InChIKeyRCTNOFNQARHKGP-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.16
Rot. Bonds4

About N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 25284739) has the molecular formula C19H14F2N4OS and a molecular weight of 384.41 g/mol. Its IUPAC name is N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID25284739
Molecular FormulaC19H14F2N4OS
Molecular Weight384.41 g/mol
Exact Mass384.09
IUPAC NameN-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(Cc2ccccc2)c2nc3c(F)cc(F)cc3s2)n1
InChIInChI=1S/C19H14F2N4OS/c1-24-8-7-15(23-24)18(26)25(11-12-5-3-2-4-6-12)19-22-17-14(21)9-13(20)10-16(17)27-19/h2-10H,11H2,1H3
InChIKeyRCTNOFNQARHKGP-UHFFFAOYSA-N
XLogP4.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 25284739) is N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N(Cc2ccccc2)c2nc3c(F)cc(F)cc3s2)n1.
What is the InChIKey of N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is RCTNOFNQARHKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4OS/c1-24-8-7-15(23-24)18(26)25(11-12-5-3-2-4-6-12)19-22-17-14(21)9-13(20)10-16(17)27-19/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25284739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).