N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

C14H13F3N4S — CID 75447132

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCc1nn(C)cc1CNc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C14H13F3N4S/c1-8-9(7-21(2)20-8)6-18-13-19-11-5-10(14(15,16)17)3-4-12(11)22-13/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyOBODEKPHBDJSGT-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.97
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 75447132) has the molecular formula C14H13F3N4S and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID75447132
Molecular FormulaC14H13F3N4S
Molecular Weight326.35 g/mol
Exact Mass326.08
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCc1nn(C)cc1CNc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C14H13F3N4S/c1-8-9(7-21(2)20-8)6-18-13-19-11-5-10(14(15,16)17)3-4-12(11)22-13/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyOBODEKPHBDJSGT-UHFFFAOYSA-N
XLogP3.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 91885439
2-Aminothiazolobenzazepine
CID 71500036
(S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654255
(S)-N1-(5-(3-amino-1-methyl-1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654341
(S)-N1-(5-(1-methyl-1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880371
N-isopropyl-6-(1-phenyl-1H-pyrazol-5-yl)benzo[d]thiazol-2-amine
CID 44448073
N-isopropyl-6-(1-m-tolyl-1H-pyrazol-5-yl)benzo[d]thiazol-2-amine
CID 44448077
N-isopropyl-6-(1-o-tolyl-1H-pyrazol-5-yl)benzo[d]thiazol-2-amine
CID 44448078
6-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448082
6-(1-(3-fluorophenyl)-1H-pyrazol-5-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448083
6-(1-(2-fluorophenyl)-1H-pyrazol-5-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448084
7-[(1-Methylpyrazol-3-yl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
CID 71541280

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 75447132) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is Cc1nn(C)cc1CNc1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is OBODEKPHBDJSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4S/c1-8-9(7-21(2)20-8)6-18-13-19-11-5-10(14(15,16)17)3-4-12(11)22-13/h3-5,7H,6H2,1-2H3,(H,18,19).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 326.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 75447132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).