5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide

C14H15BrN4OS — CID 60794005

IUPAC5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1csc(Br)c1
InChIInChI=1S/C14H15BrN4OS/c15-12-7-10(9-21-12)13(20)18-11-3-1-6-19(8-11)14-16-4-2-5-17-14/h2,4-5,7,9,11H,1,3,6,8H2,(H,18,20)
InChIKeyIFOCYTXWDPHXQX-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.70
Rot. Bonds3

About 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide

5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide (PubChem CID 60794005) has the molecular formula C14H15BrN4OS and a molecular weight of 367.27 g/mol. Its IUPAC name is 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
PubChem CID60794005
Molecular FormulaC14H15BrN4OS
Molecular Weight367.27 g/mol
Exact Mass366.01
IUPAC Name5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1csc(Br)c1
InChIInChI=1S/C14H15BrN4OS/c15-12-7-10(9-21-12)13(20)18-11-3-1-6-19(8-11)14-16-4-2-5-17-14/h2,4-5,7,9,11H,1,3,6,8H2,(H,18,20)
InChIKeyIFOCYTXWDPHXQX-UHFFFAOYSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 91789002
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CID 125167855
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzamide
CID 42239963
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide
CID 43424605
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70757066
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
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(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-amino-2-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 60866816
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide (CID 60794005) is 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide?
The InChIKey is IFOCYTXWDPHXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4OS/c15-12-7-10(9-21-12)13(20)18-11-3-1-6-19(8-11)14-16-4-2-5-17-14/h2,4-5,7,9,11H,1,3,6,8H2,(H,18,20).
What are the key properties of 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide?
5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 60794005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).