N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide

C18H18N4O3S — CID 55436056

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccnc3N3CCOCC3)sc2c1
InChIInChI=1S/C18H18N4O3S/c1-24-12-4-5-14-15(11-12)26-18(20-14)21-17(23)13-3-2-6-19-16(13)22-7-9-25-10-8-22/h2-6,11H,7-10H2,1H3,(H,20,21,23)
InChIKeyQKUHHPGMSQBTQX-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.79
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 55436056) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID55436056
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccnc3N3CCOCC3)sc2c1
InChIInChI=1S/C18H18N4O3S/c1-24-12-4-5-14-15(11-12)26-18(20-14)21-17(23)13-3-2-6-19-16(13)22-7-9-25-10-8-22/h2-6,11H,7-10H2,1H3,(H,20,21,23)
InChIKeyQKUHHPGMSQBTQX-UHFFFAOYSA-N
XLogP2.79
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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CID 58447774
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CID 71456120
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CID 117940931
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CID 117941010
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CID 117941178
CID 117941178

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide (CID 55436056) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide is COc1ccc2nc(NC(=O)c3cccnc3N3CCOCC3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is QKUHHPGMSQBTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-12-4-5-14-15(11-12)26-18(20-14)21-17(23)13-3-2-6-19-16(13)22-7-9-25-10-8-22/h2-6,11H,7-10H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 55436056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).