5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine

C10H12N2S3 — CID 24706770

IUPAC5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(CSc2cnc(N)s2)s1
InChIInChI=1S/C10H12N2S3/c1-2-7-3-4-8(14-7)6-13-9-5-12-10(11)15-9/h3-5H,2,6H2,1H3,(H2,11,12)
InChIKeyREVGLZAEMAYPQR-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.64
Rot. Bonds4

About 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine

5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 24706770) has the molecular formula C10H12N2S3 and a molecular weight of 256.42 g/mol. Its IUPAC name is 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID24706770
Molecular FormulaC10H12N2S3
Molecular Weight256.42 g/mol
Exact Mass256.02
IUPAC Name5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(CSc2cnc(N)s2)s1
InChIInChI=1S/C10H12N2S3/c1-2-7-3-4-8(14-7)6-13-9-5-12-10(11)15-9/h3-5H,2,6H2,1H3,(H2,11,12)
InChIKeyREVGLZAEMAYPQR-UHFFFAOYSA-N
XLogP3.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 24706770) is 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine is CCc1ccc(CSc2cnc(N)s2)s1.
What is the InChIKey of 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is REVGLZAEMAYPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S3/c1-2-7-3-4-8(14-7)6-13-9-5-12-10(11)15-9/h3-5H,2,6H2,1H3,(H2,11,12).
What are the key properties of 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 256.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24706770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).