ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene

C26H25N3O3S — CID 142391673

IUPACethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene
SMILESC=C.C=C/C=C\C.COC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1
InChIInChI=1S/C19H13N3O3S.C5H8.C2H4/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;1-3-5-4-2;1-2/h2-10,20H,1H3;3-5H,1H2,2H3;1-2H2/b;5-4-;
InChIKeyLRFGBYRSGRPURN-FXHNQCOHSA-N
MW459.57 g/mol
LogP6.25
Rot. Bonds5

About ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene

ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene (PubChem CID 142391673) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Nameethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene
PubChem CID142391673
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Nameethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene
SMILESC=C.C=C/C=C\C.COC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1
InChIInChI=1S/C19H13N3O3S.C5H8.C2H4/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;1-3-5-4-2;1-2/h2-10,20H,1H3;3-5H,1H2,2H3;1-2H2/b;5-4-;
InChIKeyLRFGBYRSGRPURN-FXHNQCOHSA-N
XLogP6.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
ITE-CONHMe
CID 118656024
1-Ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid
CID 156805892
Ethyl 2-[2-(1H-indol-3-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4095436
tert-butyl 6-(thiophen-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 52945829
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
5-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1H-indole-3-carboxylic acid
CID 156011972
Indolokine A5
CID 23651846
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7477474
methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907059
methyl 1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 56935492

Frequently Asked Questions

What is the IUPAC name of ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene?
The IUPAC name of ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene (CID 142391673) is ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene.
What is the SMILES notation for ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene?
The canonical SMILES for ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene is C=C.C=C/C=C\C.COC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.
What is the InChIKey of ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene?
The InChIKey is LRFGBYRSGRPURN-FXHNQCOHSA-N. The full InChI is InChI=1S/C19H13N3O3S.C5H8.C2H4/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;1-3-5-4-2;1-2/h2-10,20H,1H3;3-5H,1H2,2H3;1-2H2/b;5-4-;.
What are the key properties of ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene?
ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene has a molecular weight of 459.57 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;(3Z)-penta-1,3-diene is sourced from PubChem (CID 142391673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).