4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

C24H25N5O2S — CID 10321400

IUPAC4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5scnc5c4)CC3)c2n1
InChIInChI=1S/C24H25N5O2S/c1-31-22-9-7-18-23(29-22)19(10-11-25-18)28-24(30)16-3-5-17(6-4-16)26-13-15-2-8-21-20(12-15)27-14-32-21/h2,7-12,14,16-17,26H,3-6,13H2,1H3,(H,25,28,30)
InChIKeyCVGDZQMKRYTPRE-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.54
Rot. Bonds6

About 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 10321400) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID10321400
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5scnc5c4)CC3)c2n1
InChIInChI=1S/C24H25N5O2S/c1-31-22-9-7-18-23(29-22)19(10-11-25-18)28-24(30)16-3-5-17(6-4-16)26-13-15-2-8-21-20(12-15)27-14-32-21/h2,7-12,14,16-17,26H,3-6,13H2,1H3,(H,25,28,30)
InChIKeyCVGDZQMKRYTPRE-UHFFFAOYSA-N
XLogP4.54
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (CID 10321400) is 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5scnc5c4)CC3)c2n1.
What is the InChIKey of 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is CVGDZQMKRYTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-31-22-9-7-18-23(29-22)19(10-11-25-18)28-24(30)16-3-5-17(6-4-16)26-13-15-2-8-21-20(12-15)27-14-32-21/h2,7-12,14,16-17,26H,3-6,13H2,1H3,(H,25,28,30).
What are the key properties of 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 10321400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).