N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide

C12H20N2OS — CID 4229123

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide
SMILESCCCCCCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-4-5-6-7-8-11(15)14-12-13-9(2)10(3)16-12/h4-8H2,1-3H3,(H,13,14,15)
InChIKeyWJPZSTWCGQNLPC-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.67
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide (PubChem CID 4229123) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide
PubChem CID4229123
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide
SMILESCCCCCCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-4-5-6-7-8-11(15)14-12-13-9(2)10(3)16-12/h4-8H2,1-3H3,(H,13,14,15)
InChIKeyWJPZSTWCGQNLPC-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.67
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-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide (CID 4229123) is N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide is CCCCCCC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide?
The InChIKey is WJPZSTWCGQNLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-5-6-7-8-11(15)14-12-13-9(2)10(3)16-12/h4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide has a molecular weight of 240.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)heptanamide is sourced from PubChem (CID 4229123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).