N-(5-methyl-1,3-thiazol-2-yl)tridecanamide

C17H30N2OS — CID 139176891

IUPACN-(5-methyl-1,3-thiazol-2-yl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C17H30N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-16(20)19-17-18-14-15(2)21-17/h14H,3-13H2,1-2H3,(H,18,19,20)
InChIKeyKGRYZGBPWSYIEK-UHFFFAOYSA-N
MW310.51 g/mol
LogP5.70
Rot. Bonds12

About N-(5-methyl-1,3-thiazol-2-yl)tridecanamide

N-(5-methyl-1,3-thiazol-2-yl)tridecanamide (PubChem CID 139176891) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)tridecanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)tridecanamide
PubChem CID139176891
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C17H30N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-16(20)19-17-18-14-15(2)21-17/h14H,3-13H2,1-2H3,(H,18,19,20)
InChIKeyKGRYZGBPWSYIEK-UHFFFAOYSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-methyl-1,3-thiazol-2-yl)tridecanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)tridecanamide (CID 139176891) is N-(5-methyl-1,3-thiazol-2-yl)tridecanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)tridecanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)tridecanamide is CCCCCCCCCCCCC(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)tridecanamide?
The InChIKey is KGRYZGBPWSYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-16(20)19-17-18-14-15(2)21-17/h14H,3-13H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)tridecanamide?
N-(5-methyl-1,3-thiazol-2-yl)tridecanamide has a molecular weight of 310.51 g/mol, XLogP of 5.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)tridecanamide is sourced from PubChem (CID 139176891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).