4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C10H13N3S3 — CID 82429231

IUPAC4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(CSC)sc1-c1csc(N)n1
InChIInChI=1S/C10H13N3S3/c1-3-6-9(7-4-15-10(11)13-7)16-8(12-6)5-14-2/h4H,3,5H2,1-2H3,(H2,11,13)
InChIKeyZFVCGCTWLBAVKC-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.27
Rot. Bonds4

About 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82429231) has the molecular formula C10H13N3S3 and a molecular weight of 271.44 g/mol. Its IUPAC name is 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82429231
Molecular FormulaC10H13N3S3
Molecular Weight271.44 g/mol
Exact Mass271.03
IUPAC Name4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(CSC)sc1-c1csc(N)n1
InChIInChI=1S/C10H13N3S3/c1-3-6-9(7-4-15-10(11)13-7)16-8(12-6)5-14-2/h4H,3,5H2,1-2H3,(H2,11,13)
InChIKeyZFVCGCTWLBAVKC-UHFFFAOYSA-N
XLogP3.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82429231) is 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CCc1nc(CSC)sc1-c1csc(N)n1.
What is the InChIKey of 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is ZFVCGCTWLBAVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S3/c1-3-6-9(7-4-15-10(11)13-7)16-8(12-6)5-14-2/h4H,3,5H2,1-2H3,(H2,11,13).
What are the key properties of 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 271.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82429231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).