5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C23H20N8O2S — CID 58548189

IUPAC5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(-c2ccccn2)sc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H20N8O2S/c1-24-20(32)19-23(34-22(30-19)17-4-2-3-9-27-17)31-21(33)18-16(28-14-10-25-12-26-11-14)8-7-15(29-18)13-5-6-13/h2-4,7-13,28H,5-6H2,1H3,(H,24,32)(H,31,33)
InChIKeySESLHNPQJDILKQ-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.62
Rot. Bonds7

About 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 58548189) has the molecular formula C23H20N8O2S and a molecular weight of 472.53 g/mol. Its IUPAC name is 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID58548189
Molecular FormulaC23H20N8O2S
Molecular Weight472.53 g/mol
Exact Mass472.14
IUPAC Name5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(-c2ccccn2)sc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H20N8O2S/c1-24-20(32)19-23(34-22(30-19)17-4-2-3-9-27-17)31-21(33)18-16(28-14-10-25-12-26-11-14)8-7-15(29-18)13-5-6-13/h2-4,7-13,28H,5-6H2,1H3,(H,24,32)(H,31,33)
InChIKeySESLHNPQJDILKQ-UHFFFAOYSA-N
XLogP3.62
TPSA134.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 58548189) is 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is CNC(=O)c1nc(-c2ccccn2)sc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SESLHNPQJDILKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2S/c1-24-20(32)19-23(34-22(30-19)17-4-2-3-9-27-17)31-21(33)18-16(28-14-10-25-12-26-11-14)8-7-15(29-18)13-5-6-13/h2-4,7-13,28H,5-6H2,1H3,(H,24,32)(H,31,33).
What are the key properties of 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58548189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).