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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Related Compounds

Stf-62247
CID 704473
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
1,3-Benzothiazol-2-amine, 6-fluoro-N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 7086352
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
Aminothiazole 7
CID 5329389
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394

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).