N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide

C16H26N2OS — CID 166632529

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CC2CCCCCC2)n1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-12-8-6-4-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNMJMKNSYEJBXSC-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.74
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide (PubChem CID 166632529) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
PubChem CID166632529
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CC2CCCCCC2)n1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-12-8-6-4-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNMJMKNSYEJBXSC-UHFFFAOYSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide (CID 166632529) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide is CC(C)(C)c1csc(NC(=O)CC2CCCCCC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide?
The InChIKey is NMJMKNSYEJBXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-12-8-6-4-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide has a molecular weight of 294.46 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide is sourced from PubChem (CID 166632529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).