N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide

C15H25N3O2S — CID 4063556

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)CCC
InChIInChI=1S/C15H25N3O2S/c1-4-6-7-9-18(14(20)8-5-2)10-13(19)17-15-16-12(3)11-21-15/h11H,4-10H2,1-3H3,(H,16,17,19)
InChIKeyHGGODCZDJYFIRB-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.21
Rot. Bonds9

About N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide

N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide (PubChem CID 4063556) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide
PubChem CID4063556
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)CCC
InChIInChI=1S/C15H25N3O2S/c1-4-6-7-9-18(14(20)8-5-2)10-13(19)17-15-16-12(3)11-21-15/h11H,4-10H2,1-3H3,(H,16,17,19)
InChIKeyHGGODCZDJYFIRB-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.21
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 N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide (CID 4063556) is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide is CCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)CCC.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide?
The InChIKey is HGGODCZDJYFIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-6-7-9-18(14(20)8-5-2)10-13(19)17-15-16-12(3)11-21-15/h11H,4-10H2,1-3H3,(H,16,17,19).
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide?
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide has a molecular weight of 311.45 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbutanamide is sourced from PubChem (CID 4063556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).