4H-thiochromeno[4,3-d][1,3]thiazol-2-amine

C10H8N2S2 — CID 5010952

IUPAC4H-thiochromeno[4,3-d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C10H8N2S2/c11-10-12-9-6-3-1-2-4-7(6)13-5-8(9)14-10/h1-4H,5H2,(H2,11,12)
InChIKeyWGBUMKYAWGTOBY-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.00
Rot. Bonds

About 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine

4H-thiochromeno[4,3-d][1,3]thiazol-2-amine (PubChem CID 5010952) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name4H-thiochromeno[4,3-d][1,3]thiazol-2-amine
PubChem CID5010952
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name4H-thiochromeno[4,3-d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C10H8N2S2/c11-10-12-9-6-3-1-2-4-7(6)13-5-8(9)14-10/h1-4H,5H2,(H2,11,12)
InChIKeyWGBUMKYAWGTOBY-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine?
The IUPAC name of 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine (CID 5010952) is 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine.
What is the SMILES notation for 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine?
The canonical SMILES for 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine is Nc1nc2c(s1)CSc1ccccc1-2.
What is the InChIKey of 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine?
The InChIKey is WGBUMKYAWGTOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c11-10-12-9-6-3-1-2-4-7(6)13-5-8(9)14-10/h1-4H,5H2,(H2,11,12).
What are the key properties of 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine?
4H-thiochromeno[4,3-d][1,3]thiazol-2-amine has a molecular weight of 220.32 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thiochromeno[4,3-d][1,3]thiazol-2-amine is sourced from PubChem (CID 5010952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).