2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H24N4O2S — CID 42769912

IUPAC2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)N(C)C
InChIInChI=1S/C14H24N4O2S/c1-5-6-7-8-18(14(20)17(3)4)9-12(19)16-13-15-11(2)10-21-13/h10H,5-9H2,1-4H3,(H,15,16,19)
InChIKeyBTHCOIINPYEYKV-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.56
Rot. Bonds7

About 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 42769912) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID42769912
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)N(C)C
InChIInChI=1S/C14H24N4O2S/c1-5-6-7-8-18(14(20)17(3)4)9-12(19)16-13-15-11(2)10-21-13/h10H,5-9H2,1-4H3,(H,15,16,19)
InChIKeyBTHCOIINPYEYKV-UHFFFAOYSA-N
XLogP2.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 42769912) is 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)N(C)C.
What is the InChIKey of 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BTHCOIINPYEYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-6-7-8-18(14(20)17(3)4)9-12(19)16-13-15-11(2)10-21-13/h10H,5-9H2,1-4H3,(H,15,16,19).
What are the key properties of 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42769912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).