tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate

C20H20N2O5S — CID 23144140

IUPACtert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate
SMILESCOc1ccccc1C(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccco1
InChIInChI=1S/C20H20N2O5S/c1-20(2,3)27-19(24)22-18-21-15(14-10-7-11-26-14)17(28-18)16(23)12-8-5-6-9-13(12)25-4/h5-11H,1-4H3,(H,21,22,24)
InChIKeyNNJRRUVOJPMBHL-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.99
Rot. Bonds5

About tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 23144140) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate
PubChem CID23144140
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Nametert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate
SMILESCOc1ccccc1C(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccco1
InChIInChI=1S/C20H20N2O5S/c1-20(2,3)27-19(24)22-18-21-15(14-10-7-11-26-14)17(28-18)16(23)12-8-5-6-9-13(12)25-4/h5-11H,1-4H3,(H,21,22,24)
InChIKeyNNJRRUVOJPMBHL-UHFFFAOYSA-N
XLogP4.99
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate
CID 23144098
tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate
CID 23144577
tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate
CID 23144787
tert-butyl N-[5-(cyclohexanecarbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 23144478
[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 87218532
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
methyl N-[4-(furan-2-yl)-5-[(2E,4Z)-hexa-2,4-dienoyl]-1,3-thiazol-2-yl]carbamate
CID 130256972
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364
[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218248
methyl N-[5-[(2Z,4Z)-2-aminohepta-2,4-dien-6-ynoyl]-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 130257295
[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218529
tert-butyl N-[5-bromo-4-(furan-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate
CID 23144283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate (CID 23144140) is tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate is COc1ccccc1C(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccco1.
What is the InChIKey of tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is NNJRRUVOJPMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-20(2,3)27-19(24)22-18-21-15(14-10-7-11-26-14)17(28-18)16(23)12-8-5-6-9-13(12)25-4/h5-11H,1-4H3,(H,21,22,24).
What are the key properties of tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 400.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(furan-2-yl)-5-(2-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 23144140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).