1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone

C10H11N3OS2 — CID 62750796

IUPAC1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2cscn2)s1
InChIInChI=1S/C10H11N3OS2/c1-7(14)9-3-11-10(16-9)13(2)4-8-5-15-6-12-8/h3,5-6H,4H2,1-2H3
InChIKeySGVJCBQVEMZCOA-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone

1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 62750796) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID62750796
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2cscn2)s1
InChIInChI=1S/C10H11N3OS2/c1-7(14)9-3-11-10(16-9)13(2)4-8-5-15-6-12-8/h3,5-6H,4H2,1-2H3
InChIKeySGVJCBQVEMZCOA-UHFFFAOYSA-N
XLogP2.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone (CID 62750796) is 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)Cc2cscn2)s1.
What is the InChIKey of 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is SGVJCBQVEMZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-7(14)9-3-11-10(16-9)13(2)4-8-5-15-6-12-8/h3,5-6H,4H2,1-2H3.
What are the key properties of 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone?
1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62750796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).