N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine

C19H21N3OS — CID 135156800

IUPACN-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine
SMILESc1cncc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1
InChIInChI=1S/C19H21N3OS/c1-2-6-15(7-3-1)21-19-22-17-9-8-16(11-18(17)24-19)23-13-14-5-4-10-20-12-14/h4-5,8-12,15H,1-3,6-7,13H2,(H,21,22)
InChIKeyCRDBSKIKQFDJCG-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.01
Rot. Bonds5

About N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine

N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine (PubChem CID 135156800) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine
PubChem CID135156800
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine
SMILESc1cncc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1
InChIInChI=1S/C19H21N3OS/c1-2-6-15(7-3-1)21-19-22-17-9-8-16(11-18(17)24-19)23-13-14-5-4-10-20-12-14/h4-5,8-12,15H,1-3,6-7,13H2,(H,21,22)
InChIKeyCRDBSKIKQFDJCG-UHFFFAOYSA-N
XLogP5.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)-2-benzothiazolamine
CID 91769
US10251893, Cpd 6
CID 46926811
N-(4-(3-morpholinopyridin-2-yloxy)phenyl)benzo[d]thiazol-2-amine
CID 59327176
trans-(1S,2S)-2-[[6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169350
trans-(1R,2R)-2-[[6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169477
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71460938
Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
CID 234497
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
H3R inverse agonist VUF5391
CID 44315771
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine (CID 135156800) is N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine is c1cncc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1.
What is the InChIKey of N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is CRDBSKIKQFDJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-6-15(7-3-1)21-19-22-17-9-8-16(11-18(17)24-19)23-13-14-5-4-10-20-12-14/h4-5,8-12,15H,1-3,6-7,13H2,(H,21,22).
What are the key properties of N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 339.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135156800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).