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

C10H12F3N5S — CID 75505618

IUPACN-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCn1cc(CNc2nnc(C(F)(F)F)s2)cn1
InChIInChI=1S/C10H12F3N5S/c1-2-3-18-6-7(5-15-18)4-14-9-17-16-8(19-9)10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)
InChIKeyPDBCEEHPFRNONJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.78
Rot. Bonds5

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

N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 75505618) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID75505618
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCn1cc(CNc2nnc(C(F)(F)F)s2)cn1
InChIInChI=1S/C10H12F3N5S/c1-2-3-18-6-7(5-15-18)4-14-9-17-16-8(19-9)10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)
InChIKeyPDBCEEHPFRNONJ-UHFFFAOYSA-N
XLogP2.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-methyl-1H-pyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 28742925
5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 71848636
5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75506133
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine
CID 75517155
N-[(1-ethylpyrazol-4-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 86782895
1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 36472135
N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608822
N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608912
N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608994
5-[[4-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608995
[5-[[4-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613598
N-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80624168

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 75505618) is N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCCn1cc(CNc2nnc(C(F)(F)F)s2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PDBCEEHPFRNONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c1-2-3-18-6-7(5-15-18)4-14-9-17-16-8(19-9)10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17).
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 291.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75505618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).