N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine

C14H19ClN2OS — CID 62523628

IUPACN-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccc(OC)c(Cl)c2)=N1
InChIInChI=1S/C14H19ClN2OS/c1-4-14(5-2)9-19-13(17-14)16-10-6-7-12(18-3)11(15)8-10/h6-8H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyWQNIQJSNRWVJKA-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.42
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine

N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 62523628) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID62523628
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccc(OC)c(Cl)c2)=N1
InChIInChI=1S/C14H19ClN2OS/c1-4-14(5-2)9-19-13(17-14)16-10-6-7-12(18-3)11(15)8-10/h6-8H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyWQNIQJSNRWVJKA-UHFFFAOYSA-N
XLogP4.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 107622339
4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
CID 55081372
4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine
CID 62524656
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351140
N-(3-chloro-4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362626
N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 63668464
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine
CID 62524295
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
4,4-diethyl-N-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-thiazol-2-amine
CID 115564684

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 62523628) is N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2ccc(OC)c(Cl)c2)=N1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is WQNIQJSNRWVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-4-14(5-2)9-19-13(17-14)16-10-6-7-12(18-3)11(15)8-10/h6-8H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine has a molecular weight of 298.84 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62523628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).