N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H16ClF3N2S — CID 107153789

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccc(Cl)cc2C(F)(F)F)S1
InChIInChI=1S/C14H16ClF3N2S/c1-8(2)5-10-7-19-13(21-10)20-12-4-3-9(15)6-11(12)14(16,17)18/h3-4,6,8,10H,5,7H2,1-2H3,(H,19,20)
InChIKeyZKYIQWFGSMNPBN-UHFFFAOYSA-N
MW336.81 g/mol
LogP5.29
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153789) has the molecular formula C14H16ClF3N2S and a molecular weight of 336.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153789
Molecular FormulaC14H16ClF3N2S
Molecular Weight336.81 g/mol
Exact Mass336.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccc(Cl)cc2C(F)(F)F)S1
InChIInChI=1S/C14H16ClF3N2S/c1-8(2)5-10-7-19-13(21-10)20-12-4-3-9(15)6-11(12)14(16,17)18/h3-4,6,8,10H,5,7H2,1-2H3,(H,19,20)
InChIKeyZKYIQWFGSMNPBN-UHFFFAOYSA-N
XLogP5.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.81
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153929
N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153859
N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153725
N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285015
4-chloro-N-(3-methylpentan-2-yl)-2-(trifluoromethyl)aniline
CID 43105999
N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154602
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
2-[4-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]acetonitrile
CID 107154281
1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine
CID 107154655
N-[1-(2-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154120
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
CID 113022034

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153789) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(Nc2ccc(Cl)cc2C(F)(F)F)S1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZKYIQWFGSMNPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2S/c1-8(2)5-10-7-19-13(21-10)20-12-4-3-9(15)6-11(12)14(16,17)18/h3-4,6,8,10H,5,7H2,1-2H3,(H,19,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 336.81 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).