benzene;1,3-thiazol-2-amine

C9H10N2S — CID 87932526

IUPACbenzene;1,3-thiazol-2-amine
SMILESNc1nccs1.c1ccccc1
InChIInChI=1S/C6H6.C3H4N2S/c1-2-4-6-5-3-1;4-3-5-1-2-6-3/h1-6H;1-2H,(H2,4,5)
InChIKeyQWQHDXXUMSIUGL-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.41
Rot. Bonds

About benzene;1,3-thiazol-2-amine

benzene;1,3-thiazol-2-amine (PubChem CID 87932526) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is benzene;1,3-thiazol-2-amine.

Molecular Properties

Compound Namebenzene;1,3-thiazol-2-amine
PubChem CID87932526
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Namebenzene;1,3-thiazol-2-amine
SMILESNc1nccs1.c1ccccc1
InChIInChI=1S/C6H6.C3H4N2S/c1-2-4-6-5-3-1;4-3-5-1-2-6-3/h1-6H;1-2H,(H2,4,5)
InChIKeyQWQHDXXUMSIUGL-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;1,3-thiazol-2-amine?
The IUPAC name of benzene;1,3-thiazol-2-amine (CID 87932526) is benzene;1,3-thiazol-2-amine.
What is the SMILES notation for benzene;1,3-thiazol-2-amine?
The canonical SMILES for benzene;1,3-thiazol-2-amine is Nc1nccs1.c1ccccc1.
What is the InChIKey of benzene;1,3-thiazol-2-amine?
The InChIKey is QWQHDXXUMSIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H4N2S/c1-2-4-6-5-3-1;4-3-5-1-2-6-3/h1-6H;1-2H,(H2,4,5).
What are the key properties of benzene;1,3-thiazol-2-amine?
benzene;1,3-thiazol-2-amine has a molecular weight of 178.26 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-thiazol-2-amine is sourced from PubChem (CID 87932526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).