N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide

C11H6F2N4OS — CID 88547492

IUPACN-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2s1)n1ccnc1
InChIInChI=1S/C11H6F2N4OS/c12-6-3-8-9(4-7(6)13)19-10(15-8)16-11(18)17-2-1-14-5-17/h1-5H,(H,15,16,18)
InChIKeyNYVKCZJWSKGKDN-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.85
Rot. Bonds1

About N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide

N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide (PubChem CID 88547492) has the molecular formula C11H6F2N4OS and a molecular weight of 280.26 g/mol. Its IUPAC name is N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
PubChem CID88547492
Molecular FormulaC11H6F2N4OS
Molecular Weight280.26 g/mol
Exact Mass280.02
IUPAC NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2s1)n1ccnc1
InChIInChI=1S/C11H6F2N4OS/c12-6-3-8-9(4-7(6)13)19-10(15-8)16-11(18)17-2-1-14-5-17/h1-5H,(H,15,16,18)
InChIKeyNYVKCZJWSKGKDN-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(imidazole-1-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 130411006
dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol
CID 158984947
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119308986
N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 87291867
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
CID 99285585
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120790634
3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119758517
(3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52510389
N-[5-[2-(2-fluorophenyl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293675
N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59323900
N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide
CID 81311489

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide?
The IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide (CID 88547492) is N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide is O=C(Nc1nc2cc(F)c(F)cc2s1)n1ccnc1.
What is the InChIKey of N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide?
The InChIKey is NYVKCZJWSKGKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4OS/c12-6-3-8-9(4-7(6)13)19-10(15-8)16-11(18)17-2-1-14-5-17/h1-5H,(H,15,16,18).
What are the key properties of N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide?
N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide has a molecular weight of 280.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide is sourced from PubChem (CID 88547492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).