2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide

C24H33N5O5S2 — CID 146411680

IUPAC2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide
SMILESCOc1ccc(-c2c(C)nc3sc(C(C)(C)C(=O)N(C)C)nn23)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C24H33N5O5S2/c1-14-20(29-23(25-14)35-21(26-29)24(2,3)22(31)28(4)5)15-7-12-18(34-6)19(13-15)36(32,33)27-16-8-10-17(30)11-9-16/h7,12-13,16-17,27,30H,8-11H2,1-6H3
InChIKeyRYOGNRGLQSUUGV-UHFFFAOYSA-N
MW535.69 g/mol
LogP2.72
Rot. Bonds7

About 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide

2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide (PubChem CID 146411680) has the molecular formula C24H33N5O5S2 and a molecular weight of 535.69 g/mol. Its IUPAC name is 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide
PubChem CID146411680
Molecular FormulaC24H33N5O5S2
Molecular Weight535.69 g/mol
Exact Mass535.19
IUPAC Name2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide
SMILESCOc1ccc(-c2c(C)nc3sc(C(C)(C)C(=O)N(C)C)nn23)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C24H33N5O5S2/c1-14-20(29-23(25-14)35-21(26-29)24(2,3)22(31)28(4)5)15-7-12-18(34-6)19(13-15)36(32,33)27-16-8-10-17(30)11-9-16/h7,12-13,16-17,27,30H,8-11H2,1-6H3
InChIKeyRYOGNRGLQSUUGV-UHFFFAOYSA-N
XLogP2.72
TPSA126.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.69
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-N,N-dimethylformamide
CID 166003420
5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 146411315
methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate
CID 146411335
N-(4-hydroxycyclohexyl)-2-methoxy-5-[4-methyl-2-(propan-2-ylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 121452691
4-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-1-methylcyclohexan-1-ol
CID 146411671
[5-[3-(azetidin-3-ylsulfonyl)-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-dicyclopropylmethanol
CID 146411770
2-[5-[3-[1-(2-hydroxypropan-2-yl)cyclopropyl]sulfonyl-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 146411327
1-[3-[5-[2-[dicyclopropyl(hydroxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonylazetidin-1-yl]ethanone
CID 146411548
2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide
CID 146411339
3-[5-(2-cyclopropyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-2-methoxyphenyl]sulfonyl-2,2-dimethylpropan-1-ol
CID 167599474
2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 146411679
4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol
CID 167559465

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide (CID 146411680) is 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide is COc1ccc(-c2c(C)nc3sc(C(C)(C)C(=O)N(C)C)nn23)cc1S(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide?
The InChIKey is RYOGNRGLQSUUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5S2/c1-14-20(29-23(25-14)35-21(26-29)24(2,3)22(31)28(4)5)15-7-12-18(34-6)19(13-15)36(32,33)27-16-8-10-17(30)11-9-16/h7,12-13,16-17,27,30H,8-11H2,1-6H3.
What are the key properties of 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide?
2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide has a molecular weight of 535.69 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 146411680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).