N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide

C18H19N5O2S — CID 122319061

IUPACN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2nc3ccccc3s2)n1
InChIInChI=1S/C18H19N5O2S/c1-12-10-16(23-6-8-25-9-7-23)22-15(20-12)11-19-17(24)18-21-13-4-2-3-5-14(13)26-18/h2-5,10H,6-9,11H2,1H3,(H,19,24)
InChIKeyYOVZGRHQESTQTL-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 122319061) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID122319061
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2nc3ccccc3s2)n1
InChIInChI=1S/C18H19N5O2S/c1-12-10-16(23-6-8-25-9-7-23)22-15(20-12)11-19-17(24)18-21-13-4-2-3-5-14(13)26-18/h2-5,10H,6-9,11H2,1H3,(H,19,24)
InChIKeyYOVZGRHQESTQTL-UHFFFAOYSA-N
XLogP2.16
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
1,3-benzothiazol-2-yl-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333533
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide
CID 71807450
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazine-2-carboxamide
CID 72718138
1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122319110

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide (CID 122319061) is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide is Cc1cc(N2CCOCC2)nc(CNC(=O)c2nc3ccccc3s2)n1.
What is the InChIKey of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is YOVZGRHQESTQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-10-16(23-6-8-25-9-7-23)22-15(20-12)11-19-17(24)18-21-13-4-2-3-5-14(13)26-18/h2-5,10H,6-9,11H2,1H3,(H,19,24).
What are the key properties of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 122319061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).