4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine

C10H14Cl2N2S — CID 103093386

IUPAC4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCNC(C)C(C)=Cc1sc(Cl)nc1Cl
InChIInChI=1S/C10H14Cl2N2S/c1-4-13-7(3)6(2)5-8-9(11)14-10(12)15-8/h5,7,13H,4H2,1-3H3
InChIKeyMFTWBXCPVCJJPW-UHFFFAOYSA-N
MW265.21 g/mol
LogP3.85
Rot. Bonds4

About 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine

4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine (PubChem CID 103093386) has the molecular formula C10H14Cl2N2S and a molecular weight of 265.21 g/mol. Its IUPAC name is 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine
PubChem CID103093386
Molecular FormulaC10H14Cl2N2S
Molecular Weight265.21 g/mol
Exact Mass264.03
IUPAC Name4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCNC(C)C(C)=Cc1sc(Cl)nc1Cl
InChIInChI=1S/C10H14Cl2N2S/c1-4-13-7(3)6(2)5-8-9(11)14-10(12)15-8/h5,7,13H,4H2,1-3H3
InChIKeyMFTWBXCPVCJJPW-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The IUPAC name of 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine (CID 103093386) is 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine is CCNC(C)C(C)=Cc1sc(Cl)nc1Cl.
What is the InChIKey of 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The InChIKey is MFTWBXCPVCJJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2S/c1-4-13-7(3)6(2)5-8-9(11)14-10(12)15-8/h5,7,13H,4H2,1-3H3.
What are the key properties of 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine?
4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine has a molecular weight of 265.21 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103093386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).