3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine

C12H17N5S — CID 138027450

IUPAC3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC2(n3cccn3)CC2)n1
InChIInChI=1S/C12H17N5S/c1-9(2)10-15-11(18-16-10)13-8-12(4-5-12)17-7-3-6-14-17/h3,6-7,9H,4-5,8H2,1-2H3,(H,13,15,16)
InChIKeyDVXYMHGRXFEDTM-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.46
Rot. Bonds5

About 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine

3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 138027450) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID138027450
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC2(n3cccn3)CC2)n1
InChIInChI=1S/C12H17N5S/c1-9(2)10-15-11(18-16-10)13-8-12(4-5-12)17-7-3-6-14-17/h3,6-7,9H,4-5,8H2,1-2H3,(H,13,15,16)
InChIKeyDVXYMHGRXFEDTM-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine (CID 138027450) is 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCC2(n3cccn3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DVXYMHGRXFEDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-9(2)10-15-11(18-16-10)13-8-12(4-5-12)17-7-3-6-14-17/h3,6-7,9H,4-5,8H2,1-2H3,(H,13,15,16).
What are the key properties of 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 138027450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).