N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride

C15H14ClFN2OS2 — CID 72720229

IUPACN-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(Nc2nc(Cc3ccsc3)cs2)cc1F.Cl
InChIInChI=1S/C15H13FN2OS2.ClH/c1-19-14-3-2-11(7-13(14)16)17-15-18-12(9-21-15)6-10-4-5-20-8-10;/h2-5,7-9H,6H2,1H3,(H,17,18);1H
InChIKeyJZDIVWNWCQFEBU-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.11
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride

N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 72720229) has the molecular formula C15H14ClFN2OS2 and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID72720229
Molecular FormulaC15H14ClFN2OS2
Molecular Weight356.88 g/mol
Exact Mass356.02
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(Nc2nc(Cc3ccsc3)cs2)cc1F.Cl
InChIInChI=1S/C15H13FN2OS2.ClH/c1-19-14-3-2-11(7-13(14)16)17-15-18-12(9-21-15)6-10-4-5-20-8-10;/h2-5,7-9H,6H2,1H3,(H,17,18);1H
InChIKeyJZDIVWNWCQFEBU-UHFFFAOYSA-N
XLogP5.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
N*2*-(4-Methoxy-phenyl)-4'-methyl-[4,5']bithiazolyl-2,2'-diamine
CID 651724
(2-Methoxyphenyl)-[4-(2-thienyl)thiazol-2-yl]amine
CID 785027
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 2254772
4-[2-(4-Methoxy-phenylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9799840
4-[2-(4-Benzyloxy-phenylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9890102
4-[2-(3-Methoxy-phenylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9951603
5-Methylsulfanyl-4-[2-(4-phenoxy-phenylamino)-thiazol-4-yl]-thiophene-2-carboxamidine
CID 10480047
5-Methyl-4-[2-(4-phenoxy-phenylamino)-thiazol-4-yl]-thiophene-2-carboxamidine
CID 18537116
4-{2-[4-(4-Chloro-phenoxy)-phenylamino]-thiazol-4-yl}-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537293

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride (CID 72720229) is N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride is COc1ccc(Nc2nc(Cc3ccsc3)cs2)cc1F.Cl.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JZDIVWNWCQFEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2.ClH/c1-19-14-3-2-11(7-13(14)16)17-15-18-12(9-21-15)6-10-4-5-20-8-10;/h2-5,7-9H,6H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-4-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 72720229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).