N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

C23H30N2O4S — CID 3172890

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
SMILESCOc1ccc(OC)c(-c2csc(N(CC3CCCO3)C(=O)C3CCCCC3)n2)c1
InChIInChI=1S/C23H30N2O4S/c1-27-17-10-11-21(28-2)19(13-17)20-15-30-23(24-20)25(14-18-9-6-12-29-18)22(26)16-7-4-3-5-8-16/h10-11,13,15-16,18H,3-9,12,14H2,1-2H3
InChIKeyCUKWXDBNFZFYEG-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.92
Rot. Bonds7

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 3172890) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
PubChem CID3172890
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
SMILESCOc1ccc(OC)c(-c2csc(N(CC3CCCO3)C(=O)C3CCCCC3)n2)c1
InChIInChI=1S/C23H30N2O4S/c1-27-17-10-11-21(28-2)19(13-17)20-15-30-23(24-20)25(14-18-9-6-12-29-18)22(26)16-7-4-3-5-8-16/h10-11,13,15-16,18H,3-9,12,14H2,1-2H3
InChIKeyCUKWXDBNFZFYEG-UHFFFAOYSA-N
XLogP4.92
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide (CID 3172890) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide is COc1ccc(OC)c(-c2csc(N(CC3CCCO3)C(=O)C3CCCCC3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is CUKWXDBNFZFYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-27-17-10-11-21(28-2)19(13-17)20-15-30-23(24-20)25(14-18-9-6-12-29-18)22(26)16-7-4-3-5-8-16/h10-11,13,15-16,18H,3-9,12,14H2,1-2H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 430.57 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 3172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).