1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide

C12H14N4OS — CID 2098585

IUPAC1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C12H14N4OS/c13-10(17)8-1-4-16(5-2-8)11-9-3-6-18-12(9)15-7-14-11/h3,6-8H,1-2,4-5H2,(H2,13,17)
InChIKeyRPXGINQEFCZKPL-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.39
Rot. Bonds2

About 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide

1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide (PubChem CID 2098585) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
PubChem CID2098585
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C12H14N4OS/c13-10(17)8-1-4-16(5-2-8)11-9-3-6-18-12(9)15-7-14-11/h3,6-8H,1-2,4-5H2,(H2,13,17)
InChIKeyRPXGINQEFCZKPL-UHFFFAOYSA-N
XLogP1.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
(3-aminocyclopentyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842588
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
(3-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842591
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
2,3-dihydro-1,4-benzodioxin-6-yl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 26044226
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
2-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanethioamide
CID 63342372
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579

Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide (CID 2098585) is 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The InChIKey is RPXGINQEFCZKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-10(17)8-1-4-16(5-2-8)11-9-3-6-18-12(9)15-7-14-11/h3,6-8H,1-2,4-5H2,(H2,13,17).
What are the key properties of 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide?
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 2098585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).