N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide

C16H19N3OS — CID 110692228

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccns3)cc2)CC1
InChIInChI=1S/C16H19N3OS/c1-12-7-10-19(11-8-12)14-4-2-13(3-5-14)18-16(20)15-6-9-17-21-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,20)
InChIKeyVPCDVDMRPMRSCV-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.63
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide (PubChem CID 110692228) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
PubChem CID110692228
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccns3)cc2)CC1
InChIInChI=1S/C16H19N3OS/c1-12-7-10-19(11-8-12)14-4-2-13(3-5-14)18-16(20)15-6-9-17-21-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,20)
InChIKeyVPCDVDMRPMRSCV-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110691023
2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 110299291
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109295672
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide (CID 110692228) is N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccns3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide?
The InChIKey is VPCDVDMRPMRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-7-10-19(11-8-12)14-4-2-13(3-5-14)18-16(20)15-6-9-17-21-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 110692228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).