3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine

C9H8ClN3S2 — CID 106679263

IUPAC3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(Cl)s1
InChIInChI=1S/C9H8ClN3S2/c10-7-2-1-6(15-7)5-14-9-8(11)12-3-4-13-9/h1-4H,5H2,(H2,11,12)
InChIKeyDVKZINFUNITHFU-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.07
Rot. Bonds3

About 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine

3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106679263) has the molecular formula C9H8ClN3S2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
PubChem CID106679263
Molecular FormulaC9H8ClN3S2
Molecular Weight257.77 g/mol
Exact Mass256.98
IUPAC Name3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(Cl)s1
InChIInChI=1S/C9H8ClN3S2/c10-7-2-1-6(15-7)5-14-9-8(11)12-3-4-13-9/h1-4H,5H2,(H2,11,12)
InChIKeyDVKZINFUNITHFU-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678528
3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678727
3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine
CID 43125741
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-fluoroaniline
CID 79143946
3-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-methylaniline
CID 79141954
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 55179720
3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine
CID 106679346
2-[3-[(5-chlorothiophen-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294653
3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
CID 106679214
3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 106677999
3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106678486
3-[3-(4-chlorophenoxy)propylsulfanyl]pyrazin-2-amine
CID 106678769

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine (CID 106679263) is 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is DVKZINFUNITHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S2/c10-7-2-1-6(15-7)5-14-9-8(11)12-3-4-13-9/h1-4H,5H2,(H2,11,12).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine?
3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 257.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106679263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).