(8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid

C8H7ClN4O2S — CID 87448151

IUPAC(8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid
SMILESCSc1nc2c(Cl)nccn2c1NC(=O)O
InChIInChI=1S/C8H7ClN4O2S/c1-16-7-6(12-8(14)15)13-3-2-10-4(9)5(13)11-7/h2-3,12H,1H3,(H,14,15)
InChIKeyYHUMWWLYQKPYME-UHFFFAOYSA-N
MW258.69 g/mol
LogP2.19
Rot. Bonds2

About (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid

(8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid (PubChem CID 87448151) has the molecular formula C8H7ClN4O2S and a molecular weight of 258.69 g/mol. Its IUPAC name is (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid.

Molecular Properties

Compound Name(8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid
PubChem CID87448151
Molecular FormulaC8H7ClN4O2S
Molecular Weight258.69 g/mol
Exact Mass258.00
IUPAC Name(8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid
SMILESCSc1nc2c(Cl)nccn2c1NC(=O)O
InChIInChI=1S/C8H7ClN4O2S/c1-16-7-6(12-8(14)15)13-3-2-10-4(9)5(13)11-7/h2-3,12H,1H3,(H,14,15)
InChIKeyYHUMWWLYQKPYME-UHFFFAOYSA-N
XLogP2.19
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid?
The IUPAC name of (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid (CID 87448151) is (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid.
What is the SMILES notation for (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid?
The canonical SMILES for (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid is CSc1nc2c(Cl)nccn2c1NC(=O)O.
What is the InChIKey of (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid?
The InChIKey is YHUMWWLYQKPYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S/c1-16-7-6(12-8(14)15)13-3-2-10-4(9)5(13)11-7/h2-3,12H,1H3,(H,14,15).
What are the key properties of (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid?
(8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid has a molecular weight of 258.69 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)carbamic acid is sourced from PubChem (CID 87448151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).