N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide

C17H16FN5OS — CID 16660140

IUPACN-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCCNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
InChIInChI=1S/C17H16FN5OS/c1-3-19-15-8-13(20-10-21-15)14-9-25-17(22-14)23(2)16(24)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,19,20,21)
InChIKeyVIMZQOMKOLTMJN-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.45
Rot. Bonds5

About N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide

N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (PubChem CID 16660140) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
PubChem CID16660140
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC NameN-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCCNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
InChIInChI=1S/C17H16FN5OS/c1-3-19-15-8-13(20-10-21-15)14-9-25-17(22-14)23(2)16(24)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,19,20,21)
InChIKeyVIMZQOMKOLTMJN-UHFFFAOYSA-N
XLogP3.45
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (CID 16660140) is N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is CCNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1.
What is the InChIKey of N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The InChIKey is VIMZQOMKOLTMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-3-19-15-8-13(20-10-21-15)14-9-25-17(22-14)23(2)16(24)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,19,20,21).
What are the key properties of N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide has a molecular weight of 357.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(ethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 16660140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).