N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine

C17H14ClFN2OS — CID 854648

IUPACN-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)c(F)c1
InChIInChI=1S/C17H14ClFN2OS/c1-10-16(12-8-7-11(22-2)9-14(12)19)21-17(23-10)20-15-6-4-3-5-13(15)18/h3-9H,1-2H3,(H,20,21)
InChIKeyRBMQZBIOXFJJIP-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.66
Rot. Bonds4

About N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine

N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 854648) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID854648
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC NameN-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)c(F)c1
InChIInChI=1S/C17H14ClFN2OS/c1-10-16(12-8-7-11(22-2)9-14(12)19)21-17(23-10)20-15-6-4-3-5-13(15)18/h3-9H,1-2H3,(H,20,21)
InChIKeyRBMQZBIOXFJJIP-UHFFFAOYSA-N
XLogP5.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 973153
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
CID 2443333
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
Methyl 3-[2-anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate
CID 1861424
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
4-{2-[(4-Chlorophenyl)amino]-1,3-thiazol-4-yl}phenol
CID 7341803
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (CID 854648) is N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is COc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)c(F)c1.
What is the InChIKey of N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is RBMQZBIOXFJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c1-10-16(12-8-7-11(22-2)9-14(12)19)21-17(23-10)20-15-6-4-3-5-13(15)18/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 348.83 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 854648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).