(2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide

C12H20N4O2S — CID 96569818

IUPAC(2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCCc1csc(NC(=O)N(C)C[C@H](C)C(=O)NC)n1
InChIInChI=1S/C12H20N4O2S/c1-5-9-7-19-11(14-9)15-12(18)16(4)6-8(2)10(17)13-3/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,15,18)/t8-/m0/s1
InChIKeyHEOZKKFKPKECCK-QMMMGPOBSA-N
MW284.38 g/mol
LogP1.55
Rot. Bonds5

About (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide

(2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 96569818) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide
PubChem CID96569818
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name(2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCCc1csc(NC(=O)N(C)C[C@H](C)C(=O)NC)n1
InChIInChI=1S/C12H20N4O2S/c1-5-9-7-19-11(14-9)15-12(18)16(4)6-8(2)10(17)13-3/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,15,18)/t8-/m0/s1
InChIKeyHEOZKKFKPKECCK-QMMMGPOBSA-N
XLogP1.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide (CID 96569818) is (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide is CCc1csc(NC(=O)N(C)C[C@H](C)C(=O)NC)n1.
What is the InChIKey of (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is HEOZKKFKPKECCK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-5-9-7-19-11(14-9)15-12(18)16(4)6-8(2)10(17)13-3/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,15,18)/t8-/m0/s1.
What are the key properties of (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
(2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 96569818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).