ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one

C30H41N3O2S — CID 143502834

IUPACethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one
SMILESC=Cc1nc(C2CCN(CCCn3cc(C(=O)CC)c4cccc(OC)c43)CC2)sc1/C=C\C.CC
InChIInChI=1S/C28H35N3O2S.C2H6/c1-5-10-26-23(6-2)29-28(34-26)20-13-17-30(18-14-20)15-9-16-31-19-22(24(32)7-3)21-11-8-12-25(33-4)27(21)31;1-2/h5-6,8,10-12,19-20H,2,7,9,13-18H2,1,3-4H3;1-2H3/b10-5-;
InChIKeyTZEQYQFQWJOAHR-WIMVAJRLSA-N
MW507.74 g/mol
LogP7.67
Rot. Bonds10

About ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one

ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one (PubChem CID 143502834) has the molecular formula C30H41N3O2S and a molecular weight of 507.74 g/mol. Its IUPAC name is ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one
PubChem CID143502834
Molecular FormulaC30H41N3O2S
Molecular Weight507.74 g/mol
Exact Mass507.29
IUPAC Nameethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one
SMILESC=Cc1nc(C2CCN(CCCn3cc(C(=O)CC)c4cccc(OC)c43)CC2)sc1/C=C\C.CC
InChIInChI=1S/C28H35N3O2S.C2H6/c1-5-10-26-23(6-2)29-28(34-26)20-13-17-30(18-14-20)15-9-16-31-19-22(24(32)7-3)21-11-8-12-25(33-4)27(21)31;1-2/h5-6,8,10-12,19-20H,2,7,9,13-18H2,1,3-4H3;1-2H3/b10-5-;
InChIKeyTZEQYQFQWJOAHR-WIMVAJRLSA-N
XLogP7.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.74
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one?
The IUPAC name of ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one (CID 143502834) is ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one.
What is the SMILES notation for ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one?
The canonical SMILES for ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one is C=Cc1nc(C2CCN(CCCn3cc(C(=O)CC)c4cccc(OC)c43)CC2)sc1/C=C\C.CC.
What is the InChIKey of ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one?
The InChIKey is TZEQYQFQWJOAHR-WIMVAJRLSA-N. The full InChI is InChI=1S/C28H35N3O2S.C2H6/c1-5-10-26-23(6-2)29-28(34-26)20-13-17-30(18-14-20)15-9-16-31-19-22(24(32)7-3)21-11-8-12-25(33-4)27(21)31;1-2/h5-6,8,10-12,19-20H,2,7,9,13-18H2,1,3-4H3;1-2H3/b10-5-;.
What are the key properties of ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one?
ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one has a molecular weight of 507.74 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-[3-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one is sourced from PubChem (CID 143502834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).