tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C30H37N3O6S — CID 145120701

IUPACtert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCc1ccc(Oc2cc(OC(C)COC)cc(C(=O)Nc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)c2)cc1
InChIInChI=1S/C30H37N3O6S/c1-7-20-8-10-22(11-9-20)38-24-15-21(14-23(16-24)37-19(2)18-36-6)27(34)32-28-31-25-12-13-33(17-26(25)40-28)29(35)39-30(3,4)5/h8-11,14-16,19H,7,12-13,17-18H2,1-6H3,(H,31,32,34)
InChIKeyZIXPSXKUFZWJCB-UHFFFAOYSA-N
MW567.71 g/mol
LogP6.46
Rot. Bonds9

About tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 145120701) has the molecular formula C30H37N3O6S and a molecular weight of 567.71 g/mol. Its IUPAC name is tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID145120701
Molecular FormulaC30H37N3O6S
Molecular Weight567.71 g/mol
Exact Mass567.24
IUPAC Nametert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCc1ccc(Oc2cc(OC(C)COC)cc(C(=O)Nc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)c2)cc1
InChIInChI=1S/C30H37N3O6S/c1-7-20-8-10-22(11-9-20)38-24-15-21(14-23(16-24)37-19(2)18-36-6)27(34)32-28-31-25-12-13-33(17-26(25)40-28)29(35)39-30(3,4)5/h8-11,14-16,19H,7,12-13,17-18H2,1-6H3,(H,31,32,34)
InChIKeyZIXPSXKUFZWJCB-UHFFFAOYSA-N
XLogP6.46
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-[[3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 122417304
N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfanylphenoxy)benzamide
CID 145120715
3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfanylphenoxy)-N-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 145120695
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfanylphenoxy)benzamide
CID 145120684
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfanylphenoxy)benzamide
CID 145120683
tert-butyl 2-[(3,4-dimethylbenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 24631594
tert-butyl 2-(2-methoxyethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 62957691
tert-butyl 2-[(6-methylpyridine-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 36769131
tert-butyl 2-[(6-chloropyridine-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 33266715
tert-butyl 2-(propan-2-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 62956988
tert-butyl 2-[(3,6-dichloropyridine-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 46577352
tert-butyl 2-[(2,5-dichlorobenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 24631573

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 145120701) is tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CCc1ccc(Oc2cc(OC(C)COC)cc(C(=O)Nc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)c2)cc1.
What is the InChIKey of tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is ZIXPSXKUFZWJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O6S/c1-7-20-8-10-22(11-9-20)38-24-15-21(14-23(16-24)37-19(2)18-36-6)27(34)32-28-31-25-12-13-33(17-26(25)40-28)29(35)39-30(3,4)5/h8-11,14-16,19H,7,12-13,17-18H2,1-6H3,(H,31,32,34).
What are the key properties of tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 567.71 g/mol, XLogP of 6.46, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-(4-ethylphenoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 145120701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).