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

C14H24N4O2S — CID 71864253

IUPAC3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCCC(C)c1csc(NC(=O)N(C)CC(C)C(=O)NC)n1
InChIInChI=1S/C14H24N4O2S/c1-6-9(2)11-8-21-13(16-11)17-14(20)18(5)7-10(3)12(19)15-4/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,20)
InChIKeyZRBPLJBOOPJIPH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.50
Rot. Bonds6

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

3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 71864253) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide
PubChem CID71864253
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCCC(C)c1csc(NC(=O)N(C)CC(C)C(=O)NC)n1
InChIInChI=1S/C14H24N4O2S/c1-6-9(2)11-8-21-13(16-11)17-14(20)18(5)7-10(3)12(19)15-4/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,20)
InChIKeyZRBPLJBOOPJIPH-UHFFFAOYSA-N
XLogP2.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide (CID 71864253) is 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide is CCC(C)c1csc(NC(=O)N(C)CC(C)C(=O)NC)n1.
What is the InChIKey of 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is ZRBPLJBOOPJIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-6-9(2)11-8-21-13(16-11)17-14(20)18(5)7-10(3)12(19)15-4/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,20).
What are the key properties of 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide?
3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 71864253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).