N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide

C23H29N3O3S — CID 156795526

IUPACN-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCCC1CCC(c2nc3cc(C(C)(C)O)c(NC(=O)c4coc(C)n4)cc3s2)CC1
InChIInChI=1S/C23H29N3O3S/c1-5-14-6-8-15(9-7-14)22-26-18-10-16(23(3,4)28)17(11-20(18)30-22)25-21(27)19-12-29-13(2)24-19/h10-12,14-15,28H,5-9H2,1-4H3,(H,25,27)
InChIKeyMEJPYYZZSPSVME-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.76
Rot. Bonds5

About N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide

N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 156795526) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID156795526
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCCC1CCC(c2nc3cc(C(C)(C)O)c(NC(=O)c4coc(C)n4)cc3s2)CC1
InChIInChI=1S/C23H29N3O3S/c1-5-14-6-8-15(9-7-14)22-26-18-10-16(23(3,4)28)17(11-20(18)30-22)25-21(27)19-12-29-13(2)24-19/h10-12,14-15,28H,5-9H2,1-4H3,(H,25,27)
InChIKeyMEJPYYZZSPSVME-UHFFFAOYSA-N
XLogP5.76
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide
CID 158724150
N-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)-1,3-benzothiazol-6-yl]pyridine-2-carboxamide
CID 156533442
N-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)-1,3-benzothiazol-6-yl]pyrimidine-4-carboxamide
CID 170057840
N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-2-methylpyrimidine-4-carboxamide
CID 156530239
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]pyridine-2-carboxamide
CID 156530619
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
CID 156794494
methyl 2-(4-ethylcyclohexyl)-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]-1,3-benzoxazole-5-carboxylate
CID 170239315
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 157030410
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 164567526
N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
CID 170238978
N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
CID 155448898
N-[2-[4-[[(1S,4S)-5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide
CID 164566857

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide (CID 156795526) is N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide is CCC1CCC(c2nc3cc(C(C)(C)O)c(NC(=O)c4coc(C)n4)cc3s2)CC1.
What is the InChIKey of N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is MEJPYYZZSPSVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-5-14-6-8-15(9-7-14)22-26-18-10-16(23(3,4)28)17(11-20(18)30-22)25-21(27)19-12-29-13(2)24-19/h10-12,14-15,28H,5-9H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156795526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).