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

C19H21ClN4OS — CID 135156992

IUPAC6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESNc1nccc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1Cl
InChIInChI=1S/C19H21ClN4OS/c20-17-12(8-9-22-18(17)21)11-25-14-6-7-15-16(10-14)26-19(24-15)23-13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H2,21,22)(H,23,24)
InChIKeyZXYVWKYLUPYZGL-UHFFFAOYSA-N
MW388.92 g/mol
LogP5.25
Rot. Bonds5

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

6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (PubChem CID 135156992) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
PubChem CID135156992
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESNc1nccc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1Cl
InChIInChI=1S/C19H21ClN4OS/c20-17-12(8-9-22-18(17)21)11-25-14-6-7-15-16(10-14)26-19(24-15)23-13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H2,21,22)(H,23,24)
InChIKeyZXYVWKYLUPYZGL-UHFFFAOYSA-N
XLogP5.25
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

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
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-methoxybenzo[d]thiazol-2-yl)-N,N-dimethylpyridin-2-amine
CID 24757878
N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
CID 58548590
N-[4-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 59351376

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (CID 135156992) is 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is Nc1nccc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1Cl.
What is the InChIKey of 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The InChIKey is ZXYVWKYLUPYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c20-17-12(8-9-22-18(17)21)11-25-14-6-7-15-16(10-14)26-19(24-15)23-13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H2,21,22)(H,23,24).
What are the key properties of 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine has a molecular weight of 388.92 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135156992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).