5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine

C8H8N2S2 — CID 828526

IUPAC5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1cccs1
InChIInChI=1S/C8H8N2S2/c1-5-7(10-8(9)12-5)6-3-2-4-11-6/h2-4H,1H3,(H2,9,10)
InChIKeyPZHQCCUEFMBEKK-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.76
Rot. Bonds1

About 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine

5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 828526) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID828526
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1cccs1
InChIInChI=1S/C8H8N2S2/c1-5-7(10-8(9)12-5)6-3-2-4-11-6/h2-4H,1H3,(H2,9,10)
InChIKeyPZHQCCUEFMBEKK-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 828526) is 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1cccs1.
What is the InChIKey of 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is PZHQCCUEFMBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-5-7(10-8(9)12-5)6-3-2-4-11-6/h2-4H,1H3,(H2,9,10).
What are the key properties of 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 196.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 828526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).