5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C15H11ClF2N2OS2 — CID 16833172

IUPAC5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(F)cc(F)c21
InChIInChI=1S/C15H11ClF2N2OS2/c1-2-5-20-13-9(18)6-8(17)7-11(13)23-15(20)19-14(21)10-3-4-12(16)22-10/h3-4,6-7H,2,5H2,1H3/b19-15-
InChIKeyJUTYOGNFQCHCSZ-CYVLTUHYSA-N
MW372.85 g/mol
LogP4.85
Rot. Bonds3

About 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 16833172) has the molecular formula C15H11ClF2N2OS2 and a molecular weight of 372.85 g/mol. Its IUPAC name is 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID16833172
Molecular FormulaC15H11ClF2N2OS2
Molecular Weight372.85 g/mol
Exact Mass372.00
IUPAC Name5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(F)cc(F)c21
InChIInChI=1S/C15H11ClF2N2OS2/c1-2-5-20-13-9(18)6-8(17)7-11(13)23-15(20)19-14(21)10-3-4-12(16)22-10/h3-4,6-7H,2,5H2,1H3/b19-15-
InChIKeyJUTYOGNFQCHCSZ-CYVLTUHYSA-N
XLogP4.85
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 16833172) is 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(F)cc(F)c21.
What is the InChIKey of 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is JUTYOGNFQCHCSZ-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H11ClF2N2OS2/c1-2-5-20-13-9(18)6-8(17)7-11(13)23-15(20)19-14(21)10-3-4-12(16)22-10/h3-4,6-7H,2,5H2,1H3/b19-15-.
What are the key properties of 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,6-difluoro-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 16833172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).