1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide

C39H40N6O2S2 — CID 143568871

IUPAC1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESC/C=C(/C)c1ccccc1C.O=C(CCCc1c[nH]c2ccccc12)Nc1nccs1.O=C(Cc1c[nH]c2ccccc12)Nc1nccs1
InChIInChI=1S/C15H15N3OS.C13H11N3OS.C11H14/c19-14(18-15-16-8-9-20-15)7-3-4-11-10-17-13-6-2-1-5-12(11)13;17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11;1-4-9(2)11-8-6-5-7-10(11)3/h1-2,5-6,8-10,17H,3-4,7H2,(H,16,18,19);1-6,8,15H,7H2,(H,14,16,17);4-8H,1-3H3/b;;9-4-
InChIKeyVVNMMJIITKARRR-LVXXXXJJSA-N
MW688.92 g/mol
LogP9.81
Rot. Bonds9

About 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide

1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 143568871) has the molecular formula C39H40N6O2S2 and a molecular weight of 688.92 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID143568871
Molecular FormulaC39H40N6O2S2
Molecular Weight688.92 g/mol
Exact Mass688.27
IUPAC Name1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESC/C=C(/C)c1ccccc1C.O=C(CCCc1c[nH]c2ccccc12)Nc1nccs1.O=C(Cc1c[nH]c2ccccc12)Nc1nccs1
InChIInChI=1S/C15H15N3OS.C13H11N3OS.C11H14/c19-14(18-15-16-8-9-20-15)7-3-4-11-10-17-13-6-2-1-5-12(11)13;17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11;1-4-9(2)11-8-6-5-7-10(11)3/h1-2,5-6,8-10,17H,3-4,7H2,(H,16,18,19);1-6,8,15H,7H2,(H,14,16,17);4-8H,1-3H3/b;;9-4-
InChIKeyVVNMMJIITKARRR-LVXXXXJJSA-N
XLogP9.81
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.92
LogP ≤ 59.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide with MolForge

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Related Compounds

2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
CID 2174681
2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2107455
2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2114820
N-(5-Cyclobutyl-thiazol-2-yl)-2-(1H-indol-3-yl)-acetamide
CID 9815202
(6aR,9R,10aR)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 44269117
3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(thiazol-2-yl)propanamide
CID 59252846
2-(1H-indol-3-yl)-N-[5-[4-[5-[[2-(1H-indol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165468
2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 135351534
2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2107595
(6aR,9R,10aR)-3-tert-butyl-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 44269094
N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-2-(1H-indol-3-yl)acetamide
CID 2161796
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-(2-phenylethenesulfonyl)piperidine-4-carboxamide
CID 16259929

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide (CID 143568871) is 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide is C/C=C(/C)c1ccccc1C.O=C(CCCc1c[nH]c2ccccc12)Nc1nccs1.O=C(Cc1c[nH]c2ccccc12)Nc1nccs1.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is VVNMMJIITKARRR-LVXXXXJJSA-N. The full InChI is InChI=1S/C15H15N3OS.C13H11N3OS.C11H14/c19-14(18-15-16-8-9-20-15)7-3-4-11-10-17-13-6-2-1-5-12(11)13;17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11;1-4-9(2)11-8-6-5-7-10(11)3/h1-2,5-6,8-10,17H,3-4,7H2,(H,16,18,19);1-6,8,15H,7H2,(H,14,16,17);4-8H,1-3H3/b;;9-4-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide?
1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 688.92 g/mol, XLogP of 9.81, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-2-methylbenzene;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 143568871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).