N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide

C19H18N2O3S — CID 5171158

IUPACN-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H18N2O3S/c22-18(21-19-20-16-5-1-2-6-17(16)25-19)13-7-9-14(10-8-13)24-12-15-4-3-11-23-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21,22)
InChIKeyRZBQRSHRPSYTCY-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.11
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide

N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 5171158) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID5171158
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H18N2O3S/c22-18(21-19-20-16-5-1-2-6-17(16)25-19)13-7-9-14(10-8-13)24-12-15-4-3-11-23-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21,22)
InChIKeyRZBQRSHRPSYTCY-UHFFFAOYSA-N
XLogP4.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide
CID 60148068
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)phenoxy]-N-(benzothiazol-2-yl)acetamide (3i)
CID 46947464
N-(1,3-benzothiazol-2-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 145965101
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide (CID 5171158) is N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1nc2ccccc2s1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is RZBQRSHRPSYTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-18(21-19-20-16-5-1-2-6-17(16)25-19)13-7-9-14(10-8-13)24-12-15-4-3-11-23-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 354.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 5171158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).