N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide

C18H14N4OS — CID 7080336

IUPACN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ncccn12
InChIInChI=1S/C18H14N4OS/c1-12-16(21-18-19-8-4-9-22(12)18)13-5-2-6-14(11-13)20-17(23)15-7-3-10-24-15/h2-11H,1H3,(H,20,23)
InChIKeyMCNNOUSVRQLKFG-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.02
Rot. Bonds3

About N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide

N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 7080336) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID7080336
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ncccn12
InChIInChI=1S/C18H14N4OS/c1-12-16(21-18-19-8-4-9-22(12)18)13-5-2-6-14(11-13)20-17(23)15-7-3-10-24-15/h2-11H,1H3,(H,20,23)
InChIKeyMCNNOUSVRQLKFG-UHFFFAOYSA-N
XLogP4.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide (CID 7080336) is N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide is Cc1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ncccn12.
What is the InChIKey of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is MCNNOUSVRQLKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-16(21-18-19-8-4-9-22(12)18)13-5-2-6-14(11-13)20-17(23)15-7-3-10-24-15/h2-11H,1H3,(H,20,23).
What are the key properties of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide?
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 7080336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).