N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide

C17H16N2O2S — CID 2271389

IUPACN-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2nc3ccccc3s2)c1
InChIInChI=1S/C17H16N2O2S/c1-2-10-21-13-7-5-6-12(11-13)16(20)19-17-18-14-8-3-4-9-15(14)22-17/h3-9,11H,2,10H2,1H3,(H,18,19,20)
InChIKeyRTWQOZCNTCBSIM-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.34
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide

N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide (PubChem CID 2271389) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
PubChem CID2271389
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2nc3ccccc3s2)c1
InChIInChI=1S/C17H16N2O2S/c1-2-10-21-13-7-5-6-12(11-13)16(20)19-17-18-14-8-3-4-9-15(14)22-17/h3-9,11H,2,10H2,1H3,(H,18,19,20)
InChIKeyRTWQOZCNTCBSIM-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 55765139
3-butoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 8670645
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
CID 2298598
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
N-(5-nitro-1,3-benzothiazol-2-yl)-3-pentoxybenzamide
CID 16850485
N-(1,3-benzothiazol-2-yl)-2-(3-heptoxyphenoxy)acetamide
CID 4733411
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
N-(1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
CID 7578996
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
CID 54783416

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide (CID 2271389) is N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide?
The InChIKey is RTWQOZCNTCBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-10-21-13-7-5-6-12(11-13)16(20)19-17-18-14-8-3-4-9-15(14)22-17/h3-9,11H,2,10H2,1H3,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide?
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide has a molecular weight of 312.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide is sourced from PubChem (CID 2271389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).