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

C10H13F2N5S — CID 75506133

IUPAC5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1cc(CNc2nnc(C(F)F)s2)cn1
InChIInChI=1S/C10H13F2N5S/c1-2-3-17-6-7(5-14-17)4-13-10-16-15-9(18-10)8(11)12/h5-6,8H,2-4H2,1H3,(H,13,16)
InChIKeyMNNRHPBKSVXCQU-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.69
Rot. Bonds6

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

5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 75506133) has the molecular formula C10H13F2N5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID75506133
Molecular FormulaC10H13F2N5S
Molecular Weight273.31 g/mol
Exact Mass273.09
IUPAC Name5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1cc(CNc2nnc(C(F)F)s2)cn1
InChIInChI=1S/C10H13F2N5S/c1-2-3-17-6-7(5-14-17)4-13-10-16-15-9(18-10)8(11)12/h5-6,8H,2-4H2,1H3,(H,13,16)
InChIKeyMNNRHPBKSVXCQU-UHFFFAOYSA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 75506133) is 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCCn1cc(CNc2nnc(C(F)F)s2)cn1.
What is the InChIKey of 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MNNRHPBKSVXCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5S/c1-2-3-17-6-7(5-14-17)4-13-10-16-15-9(18-10)8(11)12/h5-6,8H,2-4H2,1H3,(H,13,16).
What are the key properties of 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 273.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75506133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).