tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

C22H29N3O5S — CID 46667929

IUPACtert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(OC)c1
InChIInChI=1S/C22H29N3O5S/c1-22(2,3)30-21(27)25-10-8-14(9-11-25)19(26)24-20-23-17(13-31-20)16-7-6-15(28-4)12-18(16)29-5/h6-7,12-14H,8-11H2,1-5H3,(H,23,24,26)
InChIKeyPJKLKUHATMAXHD-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.41
Rot. Bonds5

About tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 46667929) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID46667929
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Nametert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(OC)c1
InChIInChI=1S/C22H29N3O5S/c1-22(2,3)30-21(27)25-10-8-14(9-11-25)19(26)24-20-23-17(13-31-20)16-7-6-15(28-4)12-18(16)29-5/h6-7,12-14H,8-11H2,1-5H3,(H,23,24,26)
InChIKeyPJKLKUHATMAXHD-UHFFFAOYSA-N
XLogP4.41
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564148
1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55660589
1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16594024
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
(2R)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32620349
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499177
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 46558789
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 24593603
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119679962
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate (CID 46667929) is tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate is COc1ccc(-c2csc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(OC)c1.
What is the InChIKey of tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is PJKLKUHATMAXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-22(2,3)30-21(27)25-10-8-14(9-11-25)19(26)24-20-23-17(13-31-20)16-7-6-15(28-4)12-18(16)29-5/h6-7,12-14H,8-11H2,1-5H3,(H,23,24,26).
What are the key properties of tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 447.56 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 46667929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).