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

C16H21N3O4S — CID 110675610

IUPACtert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
SMILESCc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)NCc1ccco1
InChIInChI=1S/C16H21N3O4S/c1-10-13(14(20)17-8-11-6-5-7-22-11)24-12(19-10)9-18-15(21)23-16(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyNPUISVJGDRBNIC-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.00
Rot. Bonds5

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

tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 110675610) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
PubChem CID110675610
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Nametert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
SMILESCc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)NCc1ccco1
InChIInChI=1S/C16H21N3O4S/c1-10-13(14(20)17-8-11-6-5-7-22-11)24-12(19-10)9-18-15(21)23-16(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyNPUISVJGDRBNIC-UHFFFAOYSA-N
XLogP3.00
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate with MolForge

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Related Compounds

2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
CID 45491510
tert-butyl N-[2-(furan-2-ylmethylcarbamothioylamino)ethyl]carbamate
CID 84550174
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56711673
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9081148

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate (CID 110675610) is tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate is Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)NCc1ccco1.
What is the InChIKey of tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate?
The InChIKey is NPUISVJGDRBNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-10-13(14(20)17-8-11-6-5-7-22-11)24-12(19-10)9-18-15(21)23-16(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate?
tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 351.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 110675610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).