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

C12H20N4O2S — CID 71986456

IUPACN-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(=O)NC(=O)NC)c1nc(C)cs1
InChIInChI=1S/C12H20N4O2S/c1-5-12(3,10-15-8(2)7-19-10)14-6-9(17)16-11(18)13-4/h7,14H,5-6H2,1-4H3,(H2,13,16,17,18)
InChIKeyFDBXIPJCVYURDK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds5

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

N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide (PubChem CID 71986456) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
PubChem CID71986456
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(=O)NC(=O)NC)c1nc(C)cs1
InChIInChI=1S/C12H20N4O2S/c1-5-12(3,10-15-8(2)7-19-10)14-6-9(17)16-11(18)13-4/h7,14H,5-6H2,1-4H3,(H2,13,16,17,18)
InChIKeyFDBXIPJCVYURDK-UHFFFAOYSA-N
XLogP1.12
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide (CID 71986456) is N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide is CCC(C)(NCC(=O)NC(=O)NC)c1nc(C)cs1.
What is the InChIKey of N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The InChIKey is FDBXIPJCVYURDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-5-12(3,10-15-8(2)7-19-10)14-6-9(17)16-11(18)13-4/h7,14H,5-6H2,1-4H3,(H2,13,16,17,18).
What are the key properties of N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide is sourced from PubChem (CID 71986456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).