N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

C20H26N2O2S — CID 23612936

IUPACN-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(OCc2nc(C)c(C(=O)NC3CCCCCC3)s2)c1
InChIInChI=1S/C20H26N2O2S/c1-14-8-7-11-17(12-14)24-13-18-21-15(2)19(25-18)20(23)22-16-9-5-3-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3,(H,22,23)
InChIKeyUWEWDFHQPYCTSZ-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.79
Rot. Bonds5

About N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 23612936) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
PubChem CID23612936
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(OCc2nc(C)c(C(=O)NC3CCCCCC3)s2)c1
InChIInChI=1S/C20H26N2O2S/c1-14-8-7-11-17(12-14)24-13-18-21-15(2)19(25-18)20(23)22-16-9-5-3-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3,(H,22,23)
InChIKeyUWEWDFHQPYCTSZ-UHFFFAOYSA-N
XLogP4.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 16957722
2-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 46741141
4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 40840716
N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612943
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936035
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
N-(2-fluorophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741091
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
N-(2,5-dimethoxyphenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741085
ethyl 4-methyl-2-[[4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 46741125
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (CID 23612936) is N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is Cc1cccc(OCc2nc(C)c(C(=O)NC3CCCCCC3)s2)c1.
What is the InChIKey of N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UWEWDFHQPYCTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14-8-7-11-17(12-14)24-13-18-21-15(2)19(25-18)20(23)22-16-9-5-3-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3,(H,22,23).
What are the key properties of N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23612936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).