N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide

C19H22N6OS — CID 122320160

IUPACN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C19H22N6OS/c1-24(2)17-15(11-20-19(23-17)25-8-4-3-5-9-25)22-18(26)13-6-7-14-16(10-13)27-12-21-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,26)
InChIKeyMAYFSPJTQBKKPW-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.39
Rot. Bonds4

About N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 122320160) 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-6-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID122320160
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C19H22N6OS/c1-24(2)17-15(11-20-19(23-17)25-8-4-3-5-9-25)22-18(26)13-6-7-14-16(10-13)27-12-21-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,26)
InChIKeyMAYFSPJTQBKKPW-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

4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide
CID 122320200
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122295849
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
CID 91969413
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
CID 91969402
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide (CID 122320160) is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide is CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is MAYFSPJTQBKKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-24(2)17-15(11-20-19(23-17)25-8-4-3-5-9-25)22-18(26)13-6-7-14-16(10-13)27-12-21-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide?
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-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-6-carboxamide is sourced from PubChem (CID 122320160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).