N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide

C20H27N3O3S — CID 56521249

IUPACN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
SMILESCCOc1ccc(-c2csc(NC(=O)CCCC(=O)N(CC)CC)n2)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-23(5-2)19(25)9-7-8-18(24)22-20-21-17(14-27-20)15-10-12-16(13-11-15)26-6-3/h10-14H,4-9H2,1-3H3,(H,21,22,24)
InChIKeyNXCSCRQNSCZSOO-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.19
Rot. Bonds10

About N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide (PubChem CID 56521249) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
PubChem CID56521249
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
SMILESCCOc1ccc(-c2csc(NC(=O)CCCC(=O)N(CC)CC)n2)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-23(5-2)19(25)9-7-8-18(24)22-20-21-17(14-27-20)15-10-12-16(13-11-15)26-6-3/h10-14H,4-9H2,1-3H3,(H,21,22,24)
InChIKeyNXCSCRQNSCZSOO-UHFFFAOYSA-N
XLogP4.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521362
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119711335
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 71296571
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide (CID 56521249) is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide is CCOc1ccc(-c2csc(NC(=O)CCCC(=O)N(CC)CC)n2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide?
The InChIKey is NXCSCRQNSCZSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-23(5-2)19(25)9-7-8-18(24)22-20-21-17(14-27-20)15-10-12-16(13-11-15)26-6-3/h10-14H,4-9H2,1-3H3,(H,21,22,24).
What are the key properties of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide?
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide has a molecular weight of 389.52 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide is sourced from PubChem (CID 56521249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).