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

C16H20N2O5S — CID 23144787

IUPACtert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate
SMILESCOCCC(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccco1
InChIInChI=1S/C16H20N2O5S/c1-16(2,3)23-15(20)18-14-17-12(11-6-5-8-22-11)13(24-14)10(19)7-9-21-4/h5-6,8H,7,9H2,1-4H3,(H,17,18,20)
InChIKeyLRSGWNWUMOCTOX-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.97
Rot. Bonds6

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

tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 23144787) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate
PubChem CID23144787
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Nametert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate
SMILESCOCCC(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccco1
InChIInChI=1S/C16H20N2O5S/c1-16(2,3)23-15(20)18-14-17-12(11-6-5-8-22-11)13(24-14)10(19)7-9-21-4/h5-6,8H,7,9H2,1-4H3,(H,17,18,20)
InChIKeyLRSGWNWUMOCTOX-UHFFFAOYSA-N
XLogP3.97
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218529
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-[5-(cyclohexanecarbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 23144478
tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate
CID 23144577
methyl N-[4-(furan-2-yl)-5-[(2E,4Z)-hexa-2,4-dienoyl]-1,3-thiazol-2-yl]carbamate
CID 130256972
1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one
CID 86060932
methyl N-[5-[(2Z,4Z)-2-aminohepta-2,4-dien-6-ynoyl]-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 130257295
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218339
N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 23144378
tert-butyl N-[4-methyl-5-[(2-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
CID 11290976

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate (CID 23144787) is tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate is COCCC(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccco1.
What is the InChIKey of tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is LRSGWNWUMOCTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-16(2,3)23-15(20)18-14-17-12(11-6-5-8-22-11)13(24-14)10(19)7-9-21-4/h5-6,8H,7,9H2,1-4H3,(H,17,18,20).
What are the key properties of tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 352.41 g/mol, XLogP of 3.97, 6 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-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 23144787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).