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

C13H22N4O2S — CID 42768385

IUPAC2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN(C(=O)N(C)C)C(C)C)sc1C
InChIInChI=1S/C13H22N4O2S/c1-8(2)17(13(19)16(5)6)7-11(18)15-12-14-9(3)10(4)20-12/h8H,7H2,1-6H3,(H,14,15,18)
InChIKeyCIYPLLYILHEIQZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.09
Rot. Bonds4

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

2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 42768385) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID42768385
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN(C(=O)N(C)C)C(C)C)sc1C
InChIInChI=1S/C13H22N4O2S/c1-8(2)17(13(19)16(5)6)7-11(18)15-12-14-9(3)10(4)20-12/h8H,7H2,1-6H3,(H,14,15,18)
InChIKeyCIYPLLYILHEIQZ-UHFFFAOYSA-N
XLogP2.09
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4130975
3-bromo-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3495587
N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 7201799
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 47413054
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 3536258
(E)-N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 7237051
2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 7412309
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 97067116
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 42768385) is 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CN(C(=O)N(C)C)C(C)C)sc1C.
What is the InChIKey of 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CIYPLLYILHEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)17(13(19)16(5)6)7-11(18)15-12-14-9(3)10(4)20-12/h8H,7H2,1-6H3,(H,14,15,18).
What are the key properties of 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42768385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).