N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine

C19H17FN2OS — CID 153365689

IUPACN-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine
SMILESCOC1(c2cccc(-c3csc(Nc4ccccc4F)n3)c2)CC1
InChIInChI=1S/C19H17FN2OS/c1-23-19(9-10-19)14-6-4-5-13(11-14)17-12-24-18(22-17)21-16-8-3-2-7-15(16)20/h2-8,11-12H,9-10H2,1H3,(H,21,22)
InChIKeyQPDYWHODAVPBKV-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.33
Rot. Bonds5

About N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine

N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 153365689) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine
PubChem CID153365689
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC NameN-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine
SMILESCOC1(c2cccc(-c3csc(Nc4ccccc4F)n3)c2)CC1
InChIInChI=1S/C19H17FN2OS/c1-23-19(9-10-19)14-6-4-5-13(11-14)17-12-24-18(22-17)21-16-8-3-2-7-15(16)20/h2-8,11-12H,9-10H2,1H3,(H,21,22)
InChIKeyQPDYWHODAVPBKV-UHFFFAOYSA-N
XLogP5.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]benzonitrile
CID 153365704
N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine;N-(3-fluorophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine;N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine;N-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine;2-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazole;N-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 158895777
(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7415959
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
N-(2-fluorophenyl)-4-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 25205061
N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 90625709
methyl-oxo-[3-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]azanium
CID 89283179
4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine
CID 10177932
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine (CID 153365689) is N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine is COC1(c2cccc(-c3csc(Nc4ccccc4F)n3)c2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QPDYWHODAVPBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-23-19(9-10-19)14-6-4-5-13(11-14)17-12-24-18(22-17)21-16-8-3-2-7-15(16)20/h2-8,11-12H,9-10H2,1H3,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine?
N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 340.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[3-(1-methoxycyclopropyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 153365689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).