[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C9H9N3OS2 — CID 130757854

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2csc(CN)n2)cs1
InChIInChI=1S/C9H9N3OS2/c1-5-11-6(3-14-5)9(13)7-4-15-8(2-10)12-7/h3-4H,2,10H2,1H3
InChIKeyNSFGTDVDCZRVBQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.60
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 130757854) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID130757854
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2csc(CN)n2)cs1
InChIInChI=1S/C9H9N3OS2/c1-5-11-6(3-14-5)9(13)7-4-15-8(2-10)12-7/h3-4H,2,10H2,1H3
InChIKeyNSFGTDVDCZRVBQ-UHFFFAOYSA-N
XLogP1.60
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 130757854) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)c2csc(CN)n2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is NSFGTDVDCZRVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-5-11-6(3-14-5)9(13)7-4-15-8(2-10)12-7/h3-4H,2,10H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 239.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130757854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).