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

C19H19N3O5S — CID 23144577

IUPACtert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate
SMILESCOc1cc(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2-c2ccco2)ccn1
InChIInChI=1S/C19H19N3O5S/c1-19(2,3)27-18(24)22-17-21-14(12-6-5-9-26-12)16(28-17)15(23)11-7-8-20-13(10-11)25-4/h5-10H,1-4H3,(H,21,22,24)
InChIKeyHAPIEXBEFUBMHU-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.38
Rot. Bonds5

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

tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 23144577) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate
PubChem CID23144577
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Nametert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate
SMILESCOc1cc(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2-c2ccco2)ccn1
InChIInChI=1S/C19H19N3O5S/c1-19(2,3)27-18(24)22-17-21-14(12-6-5-9-26-12)16(28-17)15(23)11-7-8-20-13(10-11)25-4/h5-10H,1-4H3,(H,21,22,24)
InChIKeyHAPIEXBEFUBMHU-UHFFFAOYSA-N
XLogP4.38
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218248
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-methoxybenzoyl)-1,3-thiazol-2-yl]carbamate
CID 23144140
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
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate
CID 168973718
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364
methyl N-[4-(furan-2-yl)-5-[(2E,4Z)-hexa-2,4-dienoyl]-1,3-thiazol-2-yl]carbamate
CID 130256972
N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144285
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 23144525
methyl N-[5-[(2Z,4Z)-2-aminohepta-2,4-dien-6-ynoyl]-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 130257295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate (CID 23144577) is tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate is COc1cc(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2-c2ccco2)ccn1.
What is the InChIKey of tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is HAPIEXBEFUBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-19(2,3)27-18(24)22-17-21-14(12-6-5-9-26-12)16(28-17)15(23)11-7-8-20-13(10-11)25-4/h5-10H,1-4H3,(H,21,22,24).
What are the key properties of tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 401.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 23144577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).