5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide

C19H15N5OS — CID 59857162

IUPAC5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)Nc3ccc4ccccc4n3)s2)n1
InChIInChI=1S/C19H15N5OS/c1-20-19-21-11-10-14(23-19)15-7-8-16(26-15)18(25)24-17-9-6-12-4-2-3-5-13(12)22-17/h2-11H,1H3,(H,20,21,23)(H,22,24,25)
InChIKeyAKFSTAXJYQVCLG-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.05
Rot. Bonds4

About 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide

5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide (PubChem CID 59857162) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide
PubChem CID59857162
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)Nc3ccc4ccccc4n3)s2)n1
InChIInChI=1S/C19H15N5OS/c1-20-19-21-11-10-14(23-19)15-7-8-16(26-15)18(25)24-17-9-6-12-4-2-3-5-13(12)22-17/h2-11H,1H3,(H,20,21,23)(H,22,24,25)
InChIKeyAKFSTAXJYQVCLG-UHFFFAOYSA-N
XLogP4.05
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857239
N-[2-(methylamino)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 143117582
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857154
N-[(2S)-2-amino-2-phenylethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 11501248
N-[2-(2-methoxyphenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857102
N-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857041
N-[2-(4-bromophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 11718648
5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 59857216
5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11660359
3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide
CID 47019756
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
4-methyl-2-pyridin-3-yl-N-quinolin-2-yl-1,3-thiazole-5-carboxamide
CID 71111596

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide (CID 59857162) is 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)Nc3ccc4ccccc4n3)s2)n1.
What is the InChIKey of 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide?
The InChIKey is AKFSTAXJYQVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-20-19-21-11-10-14(23-19)15-7-8-16(26-15)18(25)24-17-9-6-12-4-2-3-5-13(12)22-17/h2-11H,1H3,(H,20,21,23)(H,22,24,25).
What are the key properties of 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide?
5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 59857162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).