N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide

C21H14FN5OS2 — CID 44530882

IUPACN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1
InChIInChI=1S/C21H14FN5OS2/c1-11-19(30-27-26-11)21(28)23-14-4-2-3-12(9-14)17-7-8-18(29-17)20-24-15-6-5-13(22)10-16(15)25-20/h2-10H,1H3,(H,23,28)(H,24,25)
InChIKeyJOUDTNVEXHSRDS-UHFFFAOYSA-N
MW435.51 g/mol
LogP5.51
Rot. Bonds4

About N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 44530882) has the molecular formula C21H14FN5OS2 and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID44530882
Molecular FormulaC21H14FN5OS2
Molecular Weight435.51 g/mol
Exact Mass435.06
IUPAC NameN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1
InChIInChI=1S/C21H14FN5OS2/c1-11-19(30-27-26-11)21(28)23-14-4-2-3-12(9-14)17-7-8-18(29-17)20-24-15-6-5-13(22)10-16(15)25-20/h2-10H,1H3,(H,23,28)(H,24,25)
InChIKeyJOUDTNVEXHSRDS-UHFFFAOYSA-N
XLogP5.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
CID 44530705
4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide
CID 39835416
2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide
CID 44530736
1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea
CID 44525388
4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiadiazole-5-carboxamide
CID 43952417
1-(3-cyanophenyl)-3-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525377
N-(3-methylphenyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 135391701
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
1-[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 44524849
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 44530882) is N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1.
What is the InChIKey of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is JOUDTNVEXHSRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5OS2/c1-11-19(30-27-26-11)21(28)23-14-4-2-3-12(9-14)17-7-8-18(29-17)20-24-15-6-5-13(22)10-16(15)25-20/h2-10H,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 44530882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).