4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile

C14H8FN3S — CID 107805491

IUPAC4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3ncsc3c2)cc1F
InChIInChI=1S/C14H8FN3S/c15-12-5-10(2-1-9(12)7-16)18-11-3-4-13-14(6-11)19-8-17-13/h1-6,8,18H
InChIKeyGNDWZYBABFDXKN-UHFFFAOYSA-N
MW269.30 g/mol
LogP4.05
Rot. Bonds2

About 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile

4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile (PubChem CID 107805491) has the molecular formula C14H8FN3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile
PubChem CID107805491
Molecular FormulaC14H8FN3S
Molecular Weight269.30 g/mol
Exact Mass269.04
IUPAC Name4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3ncsc3c2)cc1F
InChIInChI=1S/C14H8FN3S/c15-12-5-10(2-1-9(12)7-16)18-11-3-4-13-14(6-11)19-8-17-13/h1-6,8,18H
InChIKeyGNDWZYBABFDXKN-UHFFFAOYSA-N
XLogP4.05
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-nitrophenyl)-1,3-benzothiazol-6-amine
CID 112840853
4-(1,3-benzothiazol-6-ylamino)-3,5-difluorobenzoic acid
CID 107805858
N-(2-fluoro-4-nitrophenyl)-1,3-benzothiazol-6-amine
CID 112840865
4-(1,3-benzothiazol-6-ylamino)benzenecarbothioamide
CID 107806262
1-N-(1,3-benzothiazol-6-yl)-3-fluorobenzene-1,2-diamine
CID 107802773
4-(3,4-dimethylanilino)-2-fluorobenzonitrile
CID 113295516
2-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 107802835
1-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107802771
2-N-(1,3-benzothiazol-6-yl)-4-fluorobenzene-1,2-diamine
CID 107802777
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236
2-fluoro-4-(3-iodoanilino)benzonitrile
CID 113295528
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile?
The IUPAC name of 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile (CID 107805491) is 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile?
The canonical SMILES for 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile is N#Cc1ccc(Nc2ccc3ncsc3c2)cc1F.
What is the InChIKey of 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile?
The InChIKey is GNDWZYBABFDXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3S/c15-12-5-10(2-1-9(12)7-16)18-11-3-4-13-14(6-11)19-8-17-13/h1-6,8,18H.
What are the key properties of 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile?
4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile has a molecular weight of 269.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 107805491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).