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

C18H24N4O4S — CID 3205533

IUPACN'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C18H24N4O4S/c1-18(2,3)21-15(24)12-22(11-13-5-4-9-26-13)16(25)7-6-14(23)20-17-19-8-10-27-17/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,21,24)(H,19,20,23)
InChIKeyBLFGXVRSWPJHTI-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.40
Rot. Bonds8

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

N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205533) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205533
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C18H24N4O4S/c1-18(2,3)21-15(24)12-22(11-13-5-4-9-26-13)16(25)7-6-14(23)20-17-19-8-10-27-17/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,21,24)(H,19,20,23)
InChIKeyBLFGXVRSWPJHTI-UHFFFAOYSA-N
XLogP2.40
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide (CID 3205533) is N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide is CC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is BLFGXVRSWPJHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-18(2,3)21-15(24)12-22(11-13-5-4-9-26-13)16(25)7-6-14(23)20-17-19-8-10-27-17/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,21,24)(H,19,20,23).
What are the key properties of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide?
N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 392.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).