N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide

C20H20N4O2S — CID 46328705

IUPACN-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)c1ccccn1
InChIInChI=1S/C20H20N4O2S/c25-18(13-6-2-1-3-7-13)24-20-23-16-12-14(9-10-17(16)27-20)22-19(26)15-8-4-5-11-21-15/h4-5,8-13H,1-3,6-7H2,(H,22,26)(H,23,24,25)
InChIKeyFSSULHJRSWXODP-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.46
Rot. Bonds4

About N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide

N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide (PubChem CID 46328705) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide
PubChem CID46328705
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)c1ccccn1
InChIInChI=1S/C20H20N4O2S/c25-18(13-6-2-1-3-7-13)24-20-23-16-12-14(9-10-17(16)27-20)22-19(26)15-8-4-5-11-21-15/h4-5,8-13H,1-3,6-7H2,(H,22,26)(H,23,24,25)
InChIKeyFSSULHJRSWXODP-UHFFFAOYSA-N
XLogP4.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide (CID 46328705) is N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide is O=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)c1ccccn1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide?
The InChIKey is FSSULHJRSWXODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-18(13-6-2-1-3-7-13)24-20-23-16-12-14(9-10-17(16)27-20)22-19(26)15-8-4-5-11-21-15/h4-5,8-13H,1-3,6-7H2,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide?
N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 46328705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).