1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine

C16H13ClFN3S — CID 89478220

IUPAC1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine
SMILESNC(Cc1ccncc1)c1cnc(-c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C16H13ClFN3S/c17-12-8-11(1-2-13(12)18)16-21-9-15(22-16)14(19)7-10-3-5-20-6-4-10/h1-6,8-9,14H,7,19H2
InChIKeyQDNMPKGMXBKOMB-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.24
Rot. Bonds4

About 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine

1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine (PubChem CID 89478220) has the molecular formula C16H13ClFN3S and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine
PubChem CID89478220
Molecular FormulaC16H13ClFN3S
Molecular Weight333.82 g/mol
Exact Mass333.05
IUPAC Name1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine
SMILESNC(Cc1ccncc1)c1cnc(-c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C16H13ClFN3S/c17-12-8-11(1-2-13(12)18)16-21-9-15(22-16)14(19)7-10-3-5-20-6-4-10/h1-6,8-9,14H,7,19H2
InChIKeyQDNMPKGMXBKOMB-UHFFFAOYSA-N
XLogP4.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine
CID 89478221
1-[2-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridin-4-ylethanol
CID 89478164
2-amino-3-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 23438991
2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine
CID 21157768
2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782981
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364
2-(3-chloro-4-fluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 103043126
2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
CID 69207953
2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62965496
1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62652845
1-(2-chloro-3-fluorophenyl)-2-pyridin-4-ylethanamine
CID 81454296
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine (CID 89478220) is 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine is NC(Cc1ccncc1)c1cnc(-c2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine?
The InChIKey is QDNMPKGMXBKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3S/c17-12-8-11(1-2-13(12)18)16-21-9-15(22-16)14(19)7-10-3-5-20-6-4-10/h1-6,8-9,14H,7,19H2.
What are the key properties of 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine?
1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine has a molecular weight of 333.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 89478220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).