N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide

C16H14FN5OS — CID 51102996

IUPACN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cn1
InChIInChI=1S/C16H14FN5OS/c1-10-8-20-13(9-19-10)15(23)21-12-7-11(17)3-4-14(12)24-16-18-5-6-22(16)2/h3-9H,1-2H3,(H,21,23)
InChIKeyVMOBPJAGNVZRLQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.06
Rot. Bonds4

About N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide

N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 51102996) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide
PubChem CID51102996
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cn1
InChIInChI=1S/C16H14FN5OS/c1-10-8-20-13(9-19-10)15(23)21-12-7-11(17)3-4-14(12)24-16-18-5-6-22(16)2/h3-9H,1-2H3,(H,21,23)
InChIKeyVMOBPJAGNVZRLQ-UHFFFAOYSA-N
XLogP3.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide
CID 56822450
(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide
CID 95275387
3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide
CID 119759543
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119759560
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120790735
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 60613873
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
4-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 62377498
3-(2,5-difluorophenyl)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 102556994
N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide
CID 60607516
[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 63674003
N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
CID 110467265

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide (CID 51102996) is N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cn1.
What is the InChIKey of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is VMOBPJAGNVZRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-10-8-20-13(9-19-10)15(23)21-12-7-11(17)3-4-14(12)24-16-18-5-6-22(16)2/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide?
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 51102996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).