N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide

C14H20N4OS2 — CID 71868859

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(=O)Nc1nc(C)cs1)c1nc(C)cs1
InChIInChI=1S/C14H20N4OS2/c1-5-14(4,12-16-9(2)7-20-12)15-6-11(19)18-13-17-10(3)8-21-13/h7-8,15H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyRFDJKNJQXPSNQX-UHFFFAOYSA-N
MW324.48 g/mol
LogP3.07
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide (PubChem CID 71868859) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
PubChem CID71868859
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(=O)Nc1nc(C)cs1)c1nc(C)cs1
InChIInChI=1S/C14H20N4OS2/c1-5-14(4,12-16-9(2)7-20-12)15-6-11(19)18-13-17-10(3)8-21-13/h7-8,15H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyRFDJKNJQXPSNQX-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide (CID 71868859) is N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide is CCC(C)(NCC(=O)Nc1nc(C)cs1)c1nc(C)cs1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The InChIKey is RFDJKNJQXPSNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-5-14(4,12-16-9(2)7-20-12)15-6-11(19)18-13-17-10(3)8-21-13/h7-8,15H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide has a molecular weight of 324.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide is sourced from PubChem (CID 71868859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).