N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

C18H13FN4S2 — CID 44522319

IUPACN-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESFc1ccccc1CNc1ncc(-c2ccsc2)c(-c2nccs2)n1
InChIInChI=1S/C18H13FN4S2/c19-15-4-2-1-3-12(15)9-21-18-22-10-14(13-5-7-24-11-13)16(23-18)17-20-6-8-25-17/h1-8,10-11H,9H2,(H,21,22,23)
InChIKeyYQTIKUWEHBMFNW-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.08
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522319) has the molecular formula C18H13FN4S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522319
Molecular FormulaC18H13FN4S2
Molecular Weight368.46 g/mol
Exact Mass368.06
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESFc1ccccc1CNc1ncc(-c2ccsc2)c(-c2nccs2)n1
InChIInChI=1S/C18H13FN4S2/c19-15-4-2-1-3-12(15)9-21-18-22-10-14(13-5-7-24-11-13)16(23-18)17-20-6-8-25-17/h1-8,10-11H,9H2,(H,21,22,23)
InChIKeyYQTIKUWEHBMFNW-UHFFFAOYSA-N
XLogP5.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522319) is N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is Fc1ccccc1CNc1ncc(-c2ccsc2)c(-c2nccs2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is YQTIKUWEHBMFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S2/c19-15-4-2-1-3-12(15)9-21-18-22-10-14(13-5-7-24-11-13)16(23-18)17-20-6-8-25-17/h1-8,10-11H,9H2,(H,21,22,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 368.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).