5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide

C14H11ClFN3OS — CID 103803294

IUPAC5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1cnc(Cl)cn1
InChIInChI=1S/C14H11ClFN3OS/c15-13-7-17-11(6-18-13)14(20)19-10-3-4-21-12-2-1-8(16)5-9(10)12/h1-2,5-7,10H,3-4H2,(H,19,20)
InChIKeyYHVKRQHJGRRCOU-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.24
Rot. Bonds2

About 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide

5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide (PubChem CID 103803294) has the molecular formula C14H11ClFN3OS and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide
PubChem CID103803294
Molecular FormulaC14H11ClFN3OS
Molecular Weight323.78 g/mol
Exact Mass323.03
IUPAC Name5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1cnc(Cl)cn1
InChIInChI=1S/C14H11ClFN3OS/c15-13-7-17-11(6-18-13)14(20)19-10-3-4-21-12-2-1-8(16)5-9(10)12/h1-2,5-7,10H,3-4H2,(H,19,20)
InChIKeyYHVKRQHJGRRCOU-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide
CID 60678283
5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625358
3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
3,5-dichloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxybenzamide
CID 24516450
1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94453338
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17469535
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(prop-2-enoylamino)benzamide
CID 166403528
2,2,3,3-tetrafluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 103732268
2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60940880

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide (CID 103803294) is 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide is O=C(NC1CCSc2ccc(F)cc21)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide?
The InChIKey is YHVKRQHJGRRCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3OS/c15-13-7-17-11(6-18-13)14(20)19-10-3-4-21-12-2-1-8(16)5-9(10)12/h1-2,5-7,10H,3-4H2,(H,19,20).
What are the key properties of 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide?
5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 103803294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).