5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

C11H17ClN2OS — CID 60948814

IUPAC5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncc(CN(C)C(=O)CCCCCl)s1
InChIInChI=1S/C11H17ClN2OS/c1-9-13-7-10(16-9)8-14(2)11(15)5-3-4-6-12/h7H,3-6,8H2,1-2H3
InChIKeyZLTUXVYIFOUTEY-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.82
Rot. Bonds6

About 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (PubChem CID 60948814) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
PubChem CID60948814
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncc(CN(C)C(=O)CCCCCl)s1
InChIInChI=1S/C11H17ClN2OS/c1-9-13-7-10(16-9)8-14(2)11(15)5-3-4-6-12/h7H,3-6,8H2,1-2H3
InChIKeyZLTUXVYIFOUTEY-UHFFFAOYSA-N
XLogP2.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (CID 60948814) is 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is Cc1ncc(CN(C)C(=O)CCCCCl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The InChIKey is ZLTUXVYIFOUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-9-13-7-10(16-9)8-14(2)11(15)5-3-4-6-12/h7H,3-6,8H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide has a molecular weight of 260.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 60948814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).