2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide

C16H25ClN2O2S — CID 167755961

IUPAC2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide
SMILESCc1cnc(CN(C(=O)CCl)C2CC(C)(C)OC(C)(C)C2)s1
InChIInChI=1S/C16H25ClN2O2S/c1-11-9-18-13(22-11)10-19(14(20)8-17)12-6-15(2,3)21-16(4,5)7-12/h9,12H,6-8,10H2,1-5H3
InChIKeyCQMAVGYTWCGSQS-UHFFFAOYSA-N
MW344.91 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide

2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide (PubChem CID 167755961) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide
PubChem CID167755961
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide
SMILESCc1cnc(CN(C(=O)CCl)C2CC(C)(C)OC(C)(C)C2)s1
InChIInChI=1S/C16H25ClN2O2S/c1-11-9-18-13(22-11)10-19(14(20)8-17)12-6-15(2,3)21-16(4,5)7-12/h9,12H,6-8,10H2,1-5H3
InChIKeyCQMAVGYTWCGSQS-UHFFFAOYSA-N
XLogP3.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide?
The IUPAC name of 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide (CID 167755961) is 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide is Cc1cnc(CN(C(=O)CCl)C2CC(C)(C)OC(C)(C)C2)s1.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide?
The InChIKey is CQMAVGYTWCGSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-11-9-18-13(22-11)10-19(14(20)8-17)12-6-15(2,3)21-16(4,5)7-12/h9,12H,6-8,10H2,1-5H3.
What are the key properties of 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide?
2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide has a molecular weight of 344.91 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide is sourced from PubChem (CID 167755961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).