N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

C19H26N4O4S — CID 3205666

IUPACN'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCC(C)CCNC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C19H26N4O4S/c1-14(2)7-8-20-17(25)13-23(12-15-4-3-10-27-15)18(26)6-5-16(24)22-19-21-9-11-28-19/h3-4,9-11,14H,5-8,12-13H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyDXGBLUDQZJCSCZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.65
Rot. Bonds11

About N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205666) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205666
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCC(C)CCNC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C19H26N4O4S/c1-14(2)7-8-20-17(25)13-23(12-15-4-3-10-27-15)18(26)6-5-16(24)22-19-21-9-11-28-19/h3-4,9-11,14H,5-8,12-13H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyDXGBLUDQZJCSCZ-UHFFFAOYSA-N
XLogP2.65
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Furan-2-ylmethyl-3-thiazol-2-yl-thiourea
CID 3003032
1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 4884297
1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 5094501
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151104
N-Furan-2-ylmethyl-N'-thiazol-2-yl-oxalamide
CID 1978650
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 651341
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 656031
N-(tert-Butylcarbamoyl-methyl)-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 3205533
N-[(1,1-Dimethyl-propylcarbamoyl)-methyl]-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 3205580
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-(4-isopropyl-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205712
2-(2-furylcarbonylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 4883156
Ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate
CID 7151109

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 3205666) is N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is CC(C)CCNC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is DXGBLUDQZJCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-14(2)7-8-20-17(25)13-23(12-15-4-3-10-27-15)18(26)6-5-16(24)22-19-21-9-11-28-19/h3-4,9-11,14H,5-8,12-13H2,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 406.51 g/mol, XLogP of 2.65, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).