2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C20H24N4O3S2 — CID 55334351

IUPAC2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCCCc1ccc2nc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C20H24N4O3S2/c1-4-5-6-14-7-8-15-16(10-14)29-20(21-15)23-18(25)11-28-13(3)19(26)22-17-9-12(2)27-24-17/h7-10,13H,4-6,11H2,1-3H3,(H,21,23,25)(H,22,24,26)
InChIKeyYCHBPWXPUUVSES-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.63
Rot. Bonds9

About 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 55334351) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID55334351
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCCCc1ccc2nc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C20H24N4O3S2/c1-4-5-6-14-7-8-15-16(10-14)29-20(21-15)23-18(25)11-28-13(3)19(26)22-17-9-12(2)27-24-17/h7-10,13H,4-6,11H2,1-3H3,(H,21,23,25)(H,22,24,26)
InChIKeyYCHBPWXPUUVSES-UHFFFAOYSA-N
XLogP4.63
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94635770
2-[2-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46797499
2-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46528861
2-bromo-N-(6-butyl-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 17244883
2-[2-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24981644
methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 60529886
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19210029
(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7959640
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
(2S)-2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7935200
2-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56529980

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 55334351) is 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCCCc1ccc2nc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)sc2c1.
What is the InChIKey of 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is YCHBPWXPUUVSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-4-5-6-14-7-8-15-16(10-14)29-20(21-15)23-18(25)11-28-13(3)19(26)22-17-9-12(2)27-24-17/h7-10,13H,4-6,11H2,1-3H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 55334351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).