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

C9H9F3N4OS — CID 75401535

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1nc(CN(C)c2nc(C(F)(F)F)cs2)no1
InChIInChI=1S/C9H9F3N4OS/c1-5-13-7(15-17-5)3-16(2)8-14-6(4-18-8)9(10,11)12/h4H,3H2,1-2H3
InChIKeyXNNJDPFCEWNTMD-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.49
Rot. Bonds3

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 75401535) has the molecular formula C9H9F3N4OS and a molecular weight of 278.26 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID75401535
Molecular FormulaC9H9F3N4OS
Molecular Weight278.26 g/mol
Exact Mass278.04
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1nc(CN(C)c2nc(C(F)(F)F)cs2)no1
InChIInChI=1S/C9H9F3N4OS/c1-5-13-7(15-17-5)3-16(2)8-14-6(4-18-8)9(10,11)12/h4H,3H2,1-2H3
InChIKeyXNNJDPFCEWNTMD-UHFFFAOYSA-N
XLogP2.49
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 75401535) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1nc(CN(C)c2nc(C(F)(F)F)cs2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is XNNJDPFCEWNTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4OS/c1-5-13-7(15-17-5)3-16(2)8-14-6(4-18-8)9(10,11)12/h4H,3H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 278.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 75401535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).