N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide

C19H23N3O4S — CID 46289401

IUPACN-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CCC(=O)N3CCC4(CC3)OCCO4)cc2s1
InChIInChI=1S/C19H23N3O4S/c1-13(23)20-18-21-15-4-2-14(12-16(15)27-18)3-5-17(24)22-8-6-19(7-9-22)25-10-11-26-19/h2,4,12H,3,5-11H2,1H3,(H,20,21,23)
InChIKeyMSSVZWHBTIAQIJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.55
Rot. Bonds4

About N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46289401) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID46289401
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CCC(=O)N3CCC4(CC3)OCCO4)cc2s1
InChIInChI=1S/C19H23N3O4S/c1-13(23)20-18-21-15-4-2-14(12-16(15)27-18)3-5-17(24)22-8-6-19(7-9-22)25-10-11-26-19/h2,4,12H,3,5-11H2,1H3,(H,20,21,23)
InChIKeyMSSVZWHBTIAQIJ-UHFFFAOYSA-N
XLogP2.55
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289496
N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289472
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
CID 46289391
N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
CID 59896475
N-[6-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289477
N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289696
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 92719568
N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289699
ethyl 1-[2-(2-acetamido-1,3-benzothiazol-6-yl)acetyl]piperidine-4-carboxylate
CID 46289648
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
3-[2-(methylamino)-1,3-benzothiazol-6-yl]propanoic acid
CID 82548532
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide (CID 46289401) is N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(CCC(=O)N3CCC4(CC3)OCCO4)cc2s1.
What is the InChIKey of N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is MSSVZWHBTIAQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(23)20-18-21-15-4-2-14(12-16(15)27-18)3-5-17(24)22-8-6-19(7-9-22)25-10-11-26-19/h2,4,12H,3,5-11H2,1H3,(H,20,21,23).
What are the key properties of N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46289401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).