4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide

C22H23N3O3S — CID 25344200

IUPAC4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1OCc1ccncc1
InChIInChI=1S/C22H23N3O3S/c1-14-3-5-17-20(11-14)29-22(24-17)25-21(26)16-4-6-18(27-2)19(12-16)28-13-15-7-9-23-10-8-15/h4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,24,25,26)/t14-/m0/s1
InChIKeyCUGJTXCJNOEIQT-AWEZNQCLSA-N
MW409.51 g/mol
LogP4.50
Rot. Bonds6

About 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide

4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide (PubChem CID 25344200) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide
PubChem CID25344200
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1OCc1ccncc1
InChIInChI=1S/C22H23N3O3S/c1-14-3-5-17-20(11-14)29-22(24-17)25-21(26)16-4-6-18(27-2)19(12-16)28-13-15-7-9-23-10-8-15/h4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,24,25,26)/t14-/m0/s1
InChIKeyCUGJTXCJNOEIQT-AWEZNQCLSA-N
XLogP4.50
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 16911849
3,5-dimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 959053
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43068303
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 24592005
3,4,5-triethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7951684
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 4690337
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide
CID 42279683
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
4-tert-butyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 739433
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
6-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17168198

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide (CID 25344200) is 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide is COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1OCc1ccncc1.
What is the InChIKey of 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is CUGJTXCJNOEIQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-3-5-17-20(11-14)29-22(24-17)25-21(26)16-4-6-18(27-2)19(12-16)28-13-15-7-9-23-10-8-15/h4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,24,25,26)/t14-/m0/s1.
What are the key properties of 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide?
4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 25344200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).