2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide

C17H17FN6OS — CID 155071157

IUPAC2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2cnc(NC(C)(C)c3ncccc3F)nc2)n1
InChIInChI=1S/C17H17FN6OS/c1-17(2,13-11(18)5-4-6-20-13)24-16-21-7-10(8-22-16)15-23-12(9-26-15)14(25)19-3/h4-9H,1-3H3,(H,19,25)(H,21,22,24)
InChIKeyWNICAYUESKNHSU-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.84
Rot. Bonds5

About 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide

2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 155071157) has the molecular formula C17H17FN6OS and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID155071157
Molecular FormulaC17H17FN6OS
Molecular Weight372.43 g/mol
Exact Mass372.12
IUPAC Name2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2cnc(NC(C)(C)c3ncccc3F)nc2)n1
InChIInChI=1S/C17H17FN6OS/c1-17(2,13-11(18)5-4-6-20-13)24-16-21-7-10(8-22-16)15-23-12(9-26-15)14(25)19-3/h4-9H,1-3H3,(H,19,25)(H,21,22,24)
InChIKeyWNICAYUESKNHSU-UHFFFAOYSA-N
XLogP2.84
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide (CID 155071157) is 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(-c2cnc(NC(C)(C)c3ncccc3F)nc2)n1.
What is the InChIKey of 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WNICAYUESKNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6OS/c1-17(2,13-11(18)5-4-6-20-13)24-16-21-7-10(8-22-16)15-23-12(9-26-15)14(25)19-3/h4-9H,1-3H3,(H,19,25)(H,21,22,24).
What are the key properties of 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide?
2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluoro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155071157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).