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

C12H8F3N3S2 — CID 164628451

IUPACN-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine
SMILESFC(F)(F)c1cnc(CNc2ccc3sncc3c2)s1
InChIInChI=1S/C12H8F3N3S2/c13-12(14,15)10-5-17-11(19-10)6-16-8-1-2-9-7(3-8)4-18-20-9/h1-5,16H,6H2
InChIKeyDEXJAMUDKKKSEJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.38
Rot. Bonds3

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

N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine (PubChem CID 164628451) has the molecular formula C12H8F3N3S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine
PubChem CID164628451
Molecular FormulaC12H8F3N3S2
Molecular Weight315.35 g/mol
Exact Mass315.01
IUPAC NameN-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine
SMILESFC(F)(F)c1cnc(CNc2ccc3sncc3c2)s1
InChIInChI=1S/C12H8F3N3S2/c13-12(14,15)10-5-17-11(19-10)6-16-8-1-2-9-7(3-8)4-18-20-9/h1-5,16H,6H2
InChIKeyDEXJAMUDKKKSEJ-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-methyl-1,2-benzothiazol-6-amine
CID 164610254
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoro-1,2-benzothiazol-6-amine
CID 164611317
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
CID 164611814
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164613314
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine
CID 164616519
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoro-1,2-benzothiazol-5-amine
CID 164618658
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164621424
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164622394
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine
CID 164623656
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-fluoro-1,2-benzothiazol-5-amine
CID 164623932
N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
CID 164609772
4-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164612612

Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine?
The IUPAC name of N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine (CID 164628451) is N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine is FC(F)(F)c1cnc(CNc2ccc3sncc3c2)s1.
What is the InChIKey of N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine?
The InChIKey is DEXJAMUDKKKSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3S2/c13-12(14,15)10-5-17-11(19-10)6-16-8-1-2-9-7(3-8)4-18-20-9/h1-5,16H,6H2.
What are the key properties of N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine?
N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine has a molecular weight of 315.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164628451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).