2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide

C19H19ClN4O2S — CID 146622130

IUPAC2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(Nc2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C19H19ClN4O2S/c20-14-4-1-5-15-16(14)24-19(27-15)23-11-6-8-12(9-7-11)26-18-13(17(21)25)3-2-10-22-18/h1-5,10-12H,6-9H2,(H2,21,25)(H,23,24)
InChIKeyCVHLSDGRIFJWOA-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.25
Rot. Bonds5

About 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide

2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide (PubChem CID 146622130) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
PubChem CID146622130
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(Nc2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C19H19ClN4O2S/c20-14-4-1-5-15-16(14)24-19(27-15)23-11-6-8-12(9-7-11)26-18-13(17(21)25)3-2-10-22-18/h1-5,10-12H,6-9H2,(H2,21,25)(H,23,24)
InChIKeyCVHLSDGRIFJWOA-UHFFFAOYSA-N
XLogP4.25
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide (CID 146622130) is 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CCC(Nc2nc3c(Cl)cccc3s2)CC1.
What is the InChIKey of 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The InChIKey is CVHLSDGRIFJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c20-14-4-1-5-15-16(14)24-19(27-15)23-11-6-8-12(9-7-11)26-18-13(17(21)25)3-2-10-22-18/h1-5,10-12H,6-9H2,(H2,21,25)(H,23,24).
What are the key properties of 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide?
2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide has a molecular weight of 402.91 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146622130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).