N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide

C11H19N3OS — CID 813221

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide
SMILESCc1nc(NC(=O)CNCC(C)C)sc1C
InChIInChI=1S/C11H19N3OS/c1-7(2)5-12-6-10(15)14-11-13-8(3)9(4)16-11/h7,12H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyBGLOYUUKIQHSMJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.94
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide (PubChem CID 813221) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide
PubChem CID813221
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide
SMILESCc1nc(NC(=O)CNCC(C)C)sc1C
InChIInChI=1S/C11H19N3OS/c1-7(2)5-12-6-10(15)14-11-13-8(3)9(4)16-11/h7,12H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyBGLOYUUKIQHSMJ-UHFFFAOYSA-N
XLogP1.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide (CID 813221) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide is Cc1nc(NC(=O)CNCC(C)C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide?
The InChIKey is BGLOYUUKIQHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)5-12-6-10(15)14-11-13-8(3)9(4)16-11/h7,12H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide has a molecular weight of 241.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 813221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).