[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine

C10H10N2O2S2 — CID 84715810

IUPAC[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2scc3c2OCCO3)cs1
InChIInChI=1S/C10H10N2O2S2/c11-3-8-12-6(4-15-8)10-9-7(5-16-10)13-1-2-14-9/h4-5H,1-3,11H2
InChIKeyMSKFKKFTPILWQD-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.10
Rot. Bonds2

About [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine

[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 84715810) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID84715810
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2scc3c2OCCO3)cs1
InChIInChI=1S/C10H10N2O2S2/c11-3-8-12-6(4-15-8)10-9-7(5-16-10)13-1-2-14-9/h4-5H,1-3,11H2
InChIKeyMSKFKKFTPILWQD-UHFFFAOYSA-N
XLogP2.10
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine (CID 84715810) is [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2scc3c2OCCO3)cs1.
What is the InChIKey of [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is MSKFKKFTPILWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c11-3-8-12-6(4-15-8)10-9-7(5-16-10)13-1-2-14-9/h4-5H,1-3,11H2.
What are the key properties of [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine?
[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 254.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 84715810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).