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

C12H21N3OS — CID 71868950

IUPACN-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(=O)NC(C)C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-5-12(4,11-13-6-7-17-11)14-8-10(16)15-9(2)3/h6-7,9,14H,5,8H2,1-4H3,(H,15,16)
InChIKeyKINLHIAEBNJCLE-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.88
Rot. Bonds6

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

N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide (PubChem CID 71868950) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
PubChem CID71868950
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCC(C)(NCC(=O)NC(C)C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-5-12(4,11-13-6-7-17-11)14-8-10(16)15-9(2)3/h6-7,9,14H,5,8H2,1-4H3,(H,15,16)
InChIKeyKINLHIAEBNJCLE-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The IUPAC name of N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide (CID 71868950) is N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide is CCC(C)(NCC(=O)NC(C)C)c1nccs1.
What is the InChIKey of N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The InChIKey is KINLHIAEBNJCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-12(4,11-13-6-7-17-11)14-8-10(16)15-9(2)3/h6-7,9,14H,5,8H2,1-4H3,(H,15,16).
What are the key properties of N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide has a molecular weight of 255.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide is sourced from PubChem (CID 71868950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).