2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide

C26H29N5O5S2 — CID 3829562

IUPAC2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)CCC(=O)N2CCC(c3nc(C(=O)N(C)c4nc(CC(C)=O)ns4)cs3)CC2)cc1
InChIInChI=1S/C26H29N5O5S2/c1-16(32)14-22-28-26(38-29-22)30(2)25(35)20-15-37-24(27-20)18-10-12-31(13-11-18)23(34)9-8-21(33)17-4-6-19(36-3)7-5-17/h4-7,15,18H,8-14H2,1-3H3
InChIKeySWTZDQVBAAZCFT-UHFFFAOYSA-N
MW555.68 g/mol
LogP3.78
Rot. Bonds10

About 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide

2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3829562) has the molecular formula C26H29N5O5S2 and a molecular weight of 555.68 g/mol. Its IUPAC name is 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID3829562
Molecular FormulaC26H29N5O5S2
Molecular Weight555.68 g/mol
Exact Mass555.16
IUPAC Name2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)CCC(=O)N2CCC(c3nc(C(=O)N(C)c4nc(CC(C)=O)ns4)cs3)CC2)cc1
InChIInChI=1S/C26H29N5O5S2/c1-16(32)14-22-28-26(38-29-22)30(2)25(35)20-15-37-24(27-20)18-10-12-31(13-11-18)23(34)9-8-21(33)17-4-6-19(36-3)7-5-17/h4-7,15,18H,8-14H2,1-3H3
InChIKeySWTZDQVBAAZCFT-UHFFFAOYSA-N
XLogP3.78
TPSA122.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.68
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 3866975
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 3788915
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 3343600
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-(2-oxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 3872297
N-(2-chloro-5-methoxyphenyl)-2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3752944
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3843621
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3778842
ethyl 2-[[2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 3483844
propan-2-yl 4-[[2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 5016416
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N'-(pyridine-3-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3699076
N-(1-benzylpyrrolidin-3-yl)-2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3699445
1-(4-methoxyphenyl)-4-[4-[4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,4-dione
CID 3805909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide (CID 3829562) is 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)CCC(=O)N2CCC(c3nc(C(=O)N(C)c4nc(CC(C)=O)ns4)cs3)CC2)cc1.
What is the InChIKey of 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SWTZDQVBAAZCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5S2/c1-16(32)14-22-28-26(38-29-22)30(2)25(35)20-15-37-24(27-20)18-10-12-31(13-11-18)23(34)9-8-21(33)17-4-6-19(36-3)7-5-17/h4-7,15,18H,8-14H2,1-3H3.
What are the key properties of 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide?
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3829562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).