N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide

C19H26N4O2S — CID 87021844

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
SMILESCCC(=O)N1CCCN(CC(=O)N(CC)c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H26N4O2S/c1-3-17(24)22-11-7-10-21(12-13-22)14-18(25)23(4-2)19-20-15-8-5-6-9-16(15)26-19/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKeyFGULOZAHMOJKEU-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.59
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide (PubChem CID 87021844) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
PubChem CID87021844
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
SMILESCCC(=O)N1CCCN(CC(=O)N(CC)c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H26N4O2S/c1-3-17(24)22-11-7-10-21(12-13-22)14-18(25)23(4-2)19-20-15-8-5-6-9-16(15)26-19/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKeyFGULOZAHMOJKEU-UHFFFAOYSA-N
XLogP2.59
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide (CID 87021844) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide is CCC(=O)N1CCCN(CC(=O)N(CC)c2nc3ccccc3s2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is FGULOZAHMOJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-3-17(24)22-11-7-10-21(12-13-22)14-18(25)23(4-2)19-20-15-8-5-6-9-16(15)26-19/h5-6,8-9H,3-4,7,10-14H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 87021844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).