tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate

C27H35N5O5S2 — CID 86665633

IUPACtert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cs1
InChIInChI=1S/C27H35N5O5S2/c1-17(2)36-24-9-7-20(39(28,34)35)14-22(24)30-25-31-23(16-38-25)19-6-8-21(29-15-19)18-10-12-32(13-11-18)26(33)37-27(3,4)5/h6-9,14-18H,10-13H2,1-5H3,(H,30,31)(H2,28,34,35)
InChIKeyZLMZEBHGVZUMIY-UHFFFAOYSA-N
MW573.74 g/mol
LogP5.50
Rot. Bonds7

About tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 86665633) has the molecular formula C27H35N5O5S2 and a molecular weight of 573.74 g/mol. Its IUPAC name is tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate
PubChem CID86665633
Molecular FormulaC27H35N5O5S2
Molecular Weight573.74 g/mol
Exact Mass573.21
IUPAC Nametert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cs1
InChIInChI=1S/C27H35N5O5S2/c1-17(2)36-24-9-7-20(39(28,34)35)14-22(24)30-25-31-23(16-38-25)19-6-8-21(29-15-19)18-10-12-32(13-11-18)26(33)37-27(3,4)5/h6-9,14-18H,10-13H2,1-5H3,(H,30,31)(H2,28,34,35)
InChIKeyZLMZEBHGVZUMIY-UHFFFAOYSA-N
XLogP5.50
TPSA136.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[5-(4-sulfamoylphenyl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 141468048
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-[2-[[5-bromo-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 86640988
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 87944560
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
tert-butyl 4-[4-[(2-acetamido-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 66911119
tert-butyl 4-[2-methyl-5-propan-2-yloxy-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]piperidine-1-carboxylate
CID 175021486
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
tert-butyl 4-[4-sulfamoyl-2-(trifluoromethylsulfonyl)anilino]piperidine-1-carboxylate
CID 67225879
tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985319

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate (CID 86665633) is tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate is CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)cs1.
What is the InChIKey of tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is ZLMZEBHGVZUMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O5S2/c1-17(2)36-24-9-7-20(39(28,34)35)14-22(24)30-25-31-23(16-38-25)19-6-8-21(29-15-19)18-10-12-32(13-11-18)26(33)37-27(3,4)5/h6-9,14-18H,10-13H2,1-5H3,(H,30,31)(H2,28,34,35).
What are the key properties of tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 573.74 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 86665633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).