N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide

C19H22N6OS — CID 122320200

IUPACN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C19H22N6OS/c1-24(2)16-14(12-20-19(23-16)25-10-6-3-7-11-25)21-17(26)18-22-13-8-4-5-9-15(13)27-18/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,26)
InChIKeyBLXVYUPLDLNWAZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.39
Rot. Bonds4

About N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 122320200) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID122320200
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C19H22N6OS/c1-24(2)16-14(12-20-19(23-16)25-10-6-3-7-11-25)21-17(26)18-22-13-8-4-5-9-15(13)27-18/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,26)
InChIKeyBLXVYUPLDLNWAZ-UHFFFAOYSA-N
XLogP3.39
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
CID 122320121
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
CID 122320160
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
1-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320175
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122319951

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide (CID 122320200) is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide is CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1nc2ccccc2s1.
What is the InChIKey of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is BLXVYUPLDLNWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-24(2)16-14(12-20-19(23-16)25-10-6-3-7-11-25)21-17(26)18-22-13-8-4-5-9-15(13)27-18/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,26).
What are the key properties of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide?
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 122320200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).