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

C25H45N5O3S2 — CID 161230126

IUPACmethane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
SMILESC.C.C.C.CC(C)NS(=O)(=O)C1CC1.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1
InChIInChI=1S/C15H16N4OS.C6H13NO2S.4CH4/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;;;;/h4-10H,1-3H3;5-7H,3-4H2,1-2H3;4*1H4
InChIKeyUYQHMONHWOFYKX-UHFFFAOYSA-N
MW527.80 g/mol
LogP6.68
Rot. Bonds7

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

methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide (PubChem CID 161230126) has the molecular formula C25H45N5O3S2 and a molecular weight of 527.80 g/mol. Its IUPAC name is methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide.

Molecular Properties

Compound Namemethane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
PubChem CID161230126
Molecular FormulaC25H45N5O3S2
Molecular Weight527.80 g/mol
Exact Mass527.30
IUPAC Namemethane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
SMILESC.C.C.C.CC(C)NS(=O)(=O)C1CC1.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1
InChIInChI=1S/C15H16N4OS.C6H13NO2S.4CH4/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;;;;/h4-10H,1-3H3;5-7H,3-4H2,1-2H3;4*1H4
InChIKeyUYQHMONHWOFYKX-UHFFFAOYSA-N
XLogP6.68
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.80
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide?
The IUPAC name of methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide (CID 161230126) is methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide.
What is the SMILES notation for methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide?
The canonical SMILES for methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide is C.C.C.C.CC(C)NS(=O)(=O)C1CC1.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1.
What is the InChIKey of methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide?
The InChIKey is UYQHMONHWOFYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS.C6H13NO2S.4CH4/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;;;;/h4-10H,1-3H3;5-7H,3-4H2,1-2H3;4*1H4.
What are the key properties of methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide?
methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide has a molecular weight of 527.80 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide is sourced from PubChem (CID 161230126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).