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

C20H25N3O4S — CID 166392197

IUPACtert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate
SMILESCC(NCc1csc(-c2ccco2)n1)C(NC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C20H25N3O4S/c1-13(21-11-14-12-28-18(22-14)16-8-6-10-26-16)17(15-7-5-9-25-15)23-19(24)27-20(2,3)4/h5-10,12-13,17,21H,11H2,1-4H3,(H,23,24)
InChIKeyYTCPLALFAODUKO-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.74
Rot. Bonds7

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

tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate (PubChem CID 166392197) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate
PubChem CID166392197
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Nametert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate
SMILESCC(NCc1csc(-c2ccco2)n1)C(NC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C20H25N3O4S/c1-13(21-11-14-12-28-18(22-14)16-8-6-10-26-16)17(15-7-5-9-25-15)23-19(24)27-20(2,3)4/h5-10,12-13,17,21H,11H2,1-4H3,(H,23,24)
InChIKeyYTCPLALFAODUKO-UHFFFAOYSA-N
XLogP4.74
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 99779339
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
CID 111449190
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid
CID 43619497
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 86864116
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119813700
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate (CID 166392197) is tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate is CC(NCc1csc(-c2ccco2)n1)C(NC(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate?
The InChIKey is YTCPLALFAODUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13(21-11-14-12-28-18(22-14)16-8-6-10-26-16)17(15-7-5-9-25-15)23-19(24)27-20(2,3)4/h5-10,12-13,17,21H,11H2,1-4H3,(H,23,24).
What are the key properties of tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate?
tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate has a molecular weight of 403.50 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate is sourced from PubChem (CID 166392197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).