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

C9H9F3N4S2 — CID 113431227

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1cnc(CNc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C9H9F3N4S2/c1-2-5-3-13-6(17-5)4-14-8-16-15-7(18-8)9(10,11)12/h3H,2,4H2,1H3,(H,14,16)
InChIKeyUNDCOHFSFTXAKE-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.19
Rot. Bonds4

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 113431227) has the molecular formula C9H9F3N4S2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID113431227
Molecular FormulaC9H9F3N4S2
Molecular Weight294.33 g/mol
Exact Mass294.02
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1cnc(CNc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C9H9F3N4S2/c1-2-5-3-13-6(17-5)4-14-8-16-15-7(18-8)9(10,11)12/h3H,2,4H2,1H3,(H,14,16)
InChIKeyUNDCOHFSFTXAKE-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 113431227) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCc1cnc(CNc2nnc(C(F)(F)F)s2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UNDCOHFSFTXAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4S2/c1-2-5-3-13-6(17-5)4-14-8-16-15-7(18-8)9(10,11)12/h3H,2,4H2,1H3,(H,14,16).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 113431227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).