6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

C19H20ClN3OS — CID 135157073

IUPAC6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESClc1cnccc1COc1ccc2nc(NC3CCCCC3)sc2c1
InChIInChI=1S/C19H20ClN3OS/c20-16-11-21-9-8-13(16)12-24-15-6-7-17-18(10-15)25-19(23-17)22-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H,22,23)
InChIKeyXRXJSWIYYPKVBL-UHFFFAOYSA-N
MW373.91 g/mol
LogP5.67
Rot. Bonds5

About 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (PubChem CID 135157073) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
PubChem CID135157073
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESClc1cnccc1COc1ccc2nc(NC3CCCCC3)sc2c1
InChIInChI=1S/C19H20ClN3OS/c20-16-11-21-9-8-13(16)12-24-15-6-7-17-18(10-15)25-19(23-17)22-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H,22,23)
InChIKeyXRXJSWIYYPKVBL-UHFFFAOYSA-N
XLogP5.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.91
LogP ≤ 55.67
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
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]-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169357
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
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
trans-(1R,2R)-2-[[6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-4-chloro-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 162652017
trans-(1R,2R)-2-[[6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-4-fluoro-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 162661076
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71462648
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71462649

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (CID 135157073) is 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is Clc1cnccc1COc1ccc2nc(NC3CCCCC3)sc2c1.
What is the InChIKey of 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The InChIKey is XRXJSWIYYPKVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c20-16-11-21-9-8-13(16)12-24-15-6-7-17-18(10-15)25-19(23-17)22-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H,22,23).
What are the key properties of 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine has a molecular weight of 373.91 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135157073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).