N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide

C17H12FN5OS2 — CID 43967680

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H12FN5OS2/c1-10-15(26-22-21-10)16(24)23(9-11-3-2-6-19-8-11)17-20-13-5-4-12(18)7-14(13)25-17/h2-8H,9H2,1H3
InChIKeyCIISZBKXIUAVQY-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.84
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 43967680) has the molecular formula C17H12FN5OS2 and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
PubChem CID43967680
Molecular FormulaC17H12FN5OS2
Molecular Weight385.45 g/mol
Exact Mass385.05
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H12FN5OS2/c1-10-15(26-22-21-10)16(24)23(9-11-3-2-6-19-8-11)17-20-13-5-4-12(18)7-14(13)25-17/h2-8H,9H2,1H3
InChIKeyCIISZBKXIUAVQY-UHFFFAOYSA-N
XLogP3.84
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966883
3-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983052
methyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate
CID 43967364
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 40983101
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide
CID 40983108
4-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983059
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 43966998
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 41319090
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966768
2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 16802775
4-(dipropylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983063
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40508102

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide (CID 43967680) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is CIISZBKXIUAVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS2/c1-10-15(26-22-21-10)16(24)23(9-11-3-2-6-19-8-11)17-20-13-5-4-12(18)7-14(13)25-17/h2-8H,9H2,1H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 43967680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).