4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide

C20H24N2O3S — CID 30254308

IUPAC4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H24N2O3S/c23-19(22-20-21-17-6-2-1-3-7-18(17)26-20)14-8-10-15(11-9-14)25-13-16-5-4-12-24-16/h8-11,16H,1-7,12-13H2,(H,21,22,23)/t16-/m1/s1
InChIKeyWEVGDUIJFVYPHN-MRXNPFEDSA-N
MW372.49 g/mol
LogP4.22
Rot. Bonds5

About 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide

4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide (PubChem CID 30254308) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
PubChem CID30254308
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H24N2O3S/c23-19(22-20-21-17-6-2-1-3-7-18(17)26-20)14-8-10-15(11-9-14)25-13-16-5-4-12-24-16/h8-11,16H,1-7,12-13H2,(H,21,22,23)/t16-/m1/s1
InChIKeyWEVGDUIJFVYPHN-MRXNPFEDSA-N
XLogP4.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylbutoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5184073
4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 18272025
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46652833
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide (CID 30254308) is 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide is O=C(Nc1nc2c(s1)CCCCC2)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The InChIKey is WEVGDUIJFVYPHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-19(22-20-21-17-6-2-1-3-7-18(17)26-20)14-8-10-15(11-9-14)25-13-16-5-4-12-24-16/h8-11,16H,1-7,12-13H2,(H,21,22,23)/t16-/m1/s1.
What are the key properties of 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 30254308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).