(E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine

C7H10N2S — CID 154971032

IUPAC(E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine
SMILESCC/C=c1/scn/c1=C/N
InChIInChI=1S/C7H10N2S/c1-2-3-7-6(4-8)9-5-10-7/h3-5H,2,8H2,1H3/b6-4+,7-3+
InChIKeyIIMVWNQXKHJZAV-DVFLZCIWSA-N
MW154.24 g/mol
LogP0.03
Rot. Bonds1

About (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine

(E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine (PubChem CID 154971032) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine
PubChem CID154971032
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name(E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine
SMILESCC/C=c1/scn/c1=C/N
InChIInChI=1S/C7H10N2S/c1-2-3-7-6(4-8)9-5-10-7/h3-5H,2,8H2,1H3/b6-4+,7-3+
InChIKeyIIMVWNQXKHJZAV-DVFLZCIWSA-N
XLogP0.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine?
The IUPAC name of (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine (CID 154971032) is (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine.
What is the SMILES notation for (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine?
The canonical SMILES for (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine is CC/C=c1/scn/c1=C/N.
What is the InChIKey of (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine?
The InChIKey is IIMVWNQXKHJZAV-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-3-7-6(4-8)9-5-10-7/h3-5H,2,8H2,1H3/b6-4+,7-3+.
What are the key properties of (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine?
(E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine has a molecular weight of 154.24 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine is sourced from PubChem (CID 154971032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).