4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide

C18H18N4O3S — CID 21137064

IUPAC4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(C(=O)Nc3ccncc3)nc12
InChIInChI=1S/C18H18N4O3S/c1-24-14-3-2-13(22-8-10-25-11-9-22)16-15(14)21-18(26-16)17(23)20-12-4-6-19-7-5-12/h2-7H,8-11H2,1H3,(H,19,20,23)
InChIKeyBEKCYKUDPMYMJP-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.79
Rot. Bonds4

About 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide

4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide (PubChem CID 21137064) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide
PubChem CID21137064
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(C(=O)Nc3ccncc3)nc12
InChIInChI=1S/C18H18N4O3S/c1-24-14-3-2-13(22-8-10-25-11-9-22)16-15(14)21-18(26-16)17(23)20-12-4-6-19-7-5-12/h2-7H,8-11H2,1H3,(H,19,20,23)
InChIKeyBEKCYKUDPMYMJP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 22283227
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 86584913
4-methoxy-7-morpholin-4-yl-N-(2-oxo-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 21137057
4-methoxy-7-morpholin-4-yl-N-(2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 10309732
1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 10172866
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 11618368
4-(18F)fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 162675230
1-[2-(dimethylamino)ethyl]-3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283206
iodo-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]methanol
CID 163815671
4-methoxy-7-morpholin-4-yl-N-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 21137051
(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate
CID 11361800

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide (CID 21137064) is 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide is COc1ccc(N2CCOCC2)c2sc(C(=O)Nc3ccncc3)nc12.
What is the InChIKey of 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide?
The InChIKey is BEKCYKUDPMYMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-14-3-2-13(22-8-10-25-11-9-22)16-15(14)21-18(26-16)17(23)20-12-4-6-19-7-5-12/h2-7H,8-11H2,1H3,(H,19,20,23).
What are the key properties of 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide?
4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-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 4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 21137064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).