2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide

C12H20N4O2S — CID 71986431

IUPAC2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNC(C)(C)c1nc(C)c(C)s1
InChIInChI=1S/C12H20N4O2S/c1-7-8(2)19-10(15-7)12(3,4)14-6-9(17)16-11(18)13-5/h14H,6H2,1-5H3,(H2,13,16,17,18)
InChIKeyVLNPCWCVZYDTCM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.04
Rot. Bonds4

About 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide

2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide (PubChem CID 71986431) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide
PubChem CID71986431
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNC(C)(C)c1nc(C)c(C)s1
InChIInChI=1S/C12H20N4O2S/c1-7-8(2)19-10(15-7)12(3,4)14-6-9(17)16-11(18)13-5/h14H,6H2,1-5H3,(H2,13,16,17,18)
InChIKeyVLNPCWCVZYDTCM-UHFFFAOYSA-N
XLogP1.04
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide (CID 71986431) is 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CNC(C)(C)c1nc(C)c(C)s1.
What is the InChIKey of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide?
The InChIKey is VLNPCWCVZYDTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7-8(2)19-10(15-7)12(3,4)14-6-9(17)16-11(18)13-5/h14H,6H2,1-5H3,(H2,13,16,17,18).
What are the key properties of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide?
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 71986431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).