ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide

C27H41N5O3S2 — CID 159401944

IUPACethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
SMILESC=C.C=C.C=C.CC(C)NS(=O)(=O)C1CC1.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1
InChIInChI=1S/C15H16N4OS.C6H13NO2S.3C2H4/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-5(2)7-10(8,9)6-3-4-6;3*1-2/h4-10H,1-3H3;5-7H,3-4H2,1-2H3;3*1-2H2
InChIKeyLNLLBFQWLWZQDB-UHFFFAOYSA-N
MW547.79 g/mol
LogP6.54
Rot. Bonds7

About ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide

ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide (PubChem CID 159401944) has the molecular formula C27H41N5O3S2 and a molecular weight of 547.79 g/mol. Its IUPAC name is ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide.

Molecular Properties

Compound Nameethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
PubChem CID159401944
Molecular FormulaC27H41N5O3S2
Molecular Weight547.79 g/mol
Exact Mass547.27
IUPAC Nameethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
SMILESC=C.C=C.C=C.CC(C)NS(=O)(=O)C1CC1.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1
InChIInChI=1S/C15H16N4OS.C6H13NO2S.3C2H4/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-5(2)7-10(8,9)6-3-4-6;3*1-2/h4-10H,1-3H3;5-7H,3-4H2,1-2H3;3*1-2H2
InChIKeyLNLLBFQWLWZQDB-UHFFFAOYSA-N
XLogP6.54
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.79
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
CID 161230126
N-[5-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]hexan-2-yl]cyclopropanesulfonamide
CID 163636038
2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole
CID 158163290
(1S,4R,6S,7E,14R,18R)-N-cyclopropylsulfonyl-14-(2-fluoroethylcarbamoylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 24949780
4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole
CID 59661297
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
(1S,4S,6S,7Z,14S,18R)-14-(cyclohexylcarbamoylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 11343116
5,6-dimethyl-1-propan-2-ylbenzotriazole;ethene;N-propan-2-ylcyclopropanesulfonamide
CID 159302900
(7Z,18R)-14-(carboxymethylcarbamoylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 10462470
4,5-bis(4-methoxyphenyl)-1-propan-2-ylimidazole
CID 14278147
cyclopentyl 2-methylpropanoate;ethene;methane;(E)-1-[2-(4-methoxyphenyl)phenyl]-N-propan-2-yloxymethanimine;N-propan-2-ylcyclopropanesulfonamide;2,2,3-trimethylbutane
CID 172988107
2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 96562479

Frequently Asked Questions

What is the IUPAC name of ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide?
The IUPAC name of ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide (CID 159401944) is ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide.
What is the SMILES notation for ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide?
The canonical SMILES for ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide is C=C.C=C.C=C.CC(C)NS(=O)(=O)C1CC1.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1.
What is the InChIKey of ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide?
The InChIKey is LNLLBFQWLWZQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS.C6H13NO2S.3C2H4/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-5(2)7-10(8,9)6-3-4-6;3*1-2/h4-10H,1-3H3;5-7H,3-4H2,1-2H3;3*1-2H2.
What are the key properties of ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide?
ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide has a molecular weight of 547.79 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide is sourced from PubChem (CID 159401944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).