N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide

C18H19N5OS — CID 175650848

IUPACN-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCc1cccc2sc(N3CCC(NC(=O)c4ccncn4)CC3)nc12
InChIInChI=1S/C18H19N5OS/c1-12-3-2-4-15-16(12)22-18(25-15)23-9-6-13(7-10-23)21-17(24)14-5-8-19-11-20-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyPVFBZRPCHVJXEW-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.79
Rot. Bonds3

About N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide

N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide (PubChem CID 175650848) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide
PubChem CID175650848
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCc1cccc2sc(N3CCC(NC(=O)c4ccncn4)CC3)nc12
InChIInChI=1S/C18H19N5OS/c1-12-3-2-4-15-16(12)22-18(25-15)23-9-6-13(7-10-23)21-17(24)14-5-8-19-11-20-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyPVFBZRPCHVJXEW-UHFFFAOYSA-N
XLogP2.79
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648747
N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172903854
N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172881874
N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997771
N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649144
N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649352
N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172903919
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175651152
N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648871
N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609574
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
2-methyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 7539254

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide (CID 175650848) is N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide is Cc1cccc2sc(N3CCC(NC(=O)c4ccncn4)CC3)nc12.
What is the InChIKey of N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is PVFBZRPCHVJXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-3-2-4-15-16(12)22-18(25-15)23-9-6-13(7-10-23)21-17(24)14-5-8-19-11-20-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,24).
What are the key properties of N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175650848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).