1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide

C19H19ClN4OS — CID 172559032

IUPAC1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc(Cl)nc4ccsc34)CC2)cc1
InChIInChI=1S/C19H19ClN4OS/c1-12-2-4-14(5-3-12)21-18(25)13-6-9-24(10-7-13)17-16-15(8-11-26-16)22-19(20)23-17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,25)
InChIKeyIIAGLUIBNYLJLJ-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.51
Rot. Bonds3

About 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide

1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 172559032) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID172559032
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc(Cl)nc4ccsc34)CC2)cc1
InChIInChI=1S/C19H19ClN4OS/c1-12-2-4-14(5-3-12)21-18(25)13-6-9-24(10-7-13)17-16-15(8-11-26-16)22-19(20)23-17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,25)
InChIKeyIIAGLUIBNYLJLJ-UHFFFAOYSA-N
XLogP4.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 172559045
N-(1-adamantyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 172559033
N-(3-fluoro-4-methylphenyl)-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 50843441
1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 50843254
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 50843153
tert-butyl (2R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 166595218
N-(3,4-difluorophenyl)-1-[3-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 50843132
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044
N-(3,4-difluorophenyl)-1-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 50843248
N-(3-chloro-4-methoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611359

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide (CID 172559032) is 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3nc(Cl)nc4ccsc34)CC2)cc1.
What is the InChIKey of 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is IIAGLUIBNYLJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-12-2-4-14(5-3-12)21-18(25)13-6-9-24(10-7-13)17-16-15(8-11-26-16)22-19(20)23-17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,25).
What are the key properties of 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 172559032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).