N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C17H11FN4S2 — CID 163214685

IUPACN-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESFc1cccc(Nc2nc(-c3nc(-c4cccnc4)cs3)cs2)c1
InChIInChI=1S/C17H11FN4S2/c18-12-4-1-5-13(7-12)20-17-22-15(10-24-17)16-21-14(9-23-16)11-3-2-6-19-8-11/h1-10H,(H,20,22)
InChIKeyVVOLLBMZSTWAHY-UHFFFAOYSA-N
MW354.44 g/mol
LogP5.21
Rot. Bonds4

About N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214685) has the molecular formula C17H11FN4S2 and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214685
Molecular FormulaC17H11FN4S2
Molecular Weight354.44 g/mol
Exact Mass354.04
IUPAC NameN-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESFc1cccc(Nc2nc(-c3nc(-c4cccnc4)cs3)cs2)c1
InChIInChI=1S/C17H11FN4S2/c18-12-4-1-5-13(7-12)20-17-22-15(10-24-17)16-21-14(9-23-16)11-3-2-6-19-8-11/h1-10H,(H,20,22)
InChIKeyVVOLLBMZSTWAHY-UHFFFAOYSA-N
XLogP5.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214685) is N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Fc1cccc(Nc2nc(-c3nc(-c4cccnc4)cs3)cs2)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is VVOLLBMZSTWAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4S2/c18-12-4-1-5-13(7-12)20-17-22-15(10-24-17)16-21-14(9-23-16)11-3-2-6-19-8-11/h1-10H,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 354.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).