4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine

C14H11F3N4S2 — CID 145104738

IUPAC4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2csc(-c3ccc(C(F)(F)F)cc3N)n2)cs1
InChIInChI=1S/C14H11F3N4S2/c1-19-13-21-11(6-23-13)10-5-22-12(20-10)8-3-2-7(4-9(8)18)14(15,16)17/h2-6H,18H2,1H3,(H,19,21)
InChIKeyOBOWXXJYRKUUSQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.58
Rot. Bonds3

About 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine

4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 145104738) has the molecular formula C14H11F3N4S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID145104738
Molecular FormulaC14H11F3N4S2
Molecular Weight356.40 g/mol
Exact Mass356.04
IUPAC Name4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2csc(-c3ccc(C(F)(F)F)cc3N)n2)cs1
InChIInChI=1S/C14H11F3N4S2/c1-19-13-21-11(6-23-13)10-5-22-12(20-10)8-3-2-7(4-9(8)18)14(15,16)17/h2-6H,18H2,1H3,(H,19,21)
InChIKeyOBOWXXJYRKUUSQ-UHFFFAOYSA-N
XLogP4.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
CID 72852943
2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
2-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146171671
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70317978
1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 3654278
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146186096
2-(2-methylphenyl)-5-(trifluoromethyl)aniline
CID 114043492
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine (CID 145104738) is 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2csc(-c3ccc(C(F)(F)F)cc3N)n2)cs1.
What is the InChIKey of 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is OBOWXXJYRKUUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4S2/c1-19-13-21-11(6-23-13)10-5-22-12(20-10)8-3-2-7(4-9(8)18)14(15,16)17/h2-6H,18H2,1H3,(H,19,21).
What are the key properties of 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 356.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 145104738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).