N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

C11H15N5S — CID 4774802

IUPACN-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnn(C(C)c2nnc(NC3CC3)s2)c1
InChIInChI=1S/C11H15N5S/c1-7-5-12-16(6-7)8(2)10-14-15-11(17-10)13-9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,13,15)
InChIKeyZPKRZNUORPEEDL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.23
Rot. Bonds4

About N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 4774802) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID4774802
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnn(C(C)c2nnc(NC3CC3)s2)c1
InChIInChI=1S/C11H15N5S/c1-7-5-12-16(6-7)8(2)10-14-15-11(17-10)13-9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,13,15)
InChIKeyZPKRZNUORPEEDL-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 4774802) is N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1cnn(C(C)c2nnc(NC3CC3)s2)c1.
What is the InChIKey of N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZPKRZNUORPEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7-5-12-16(6-7)8(2)10-14-15-11(17-10)13-9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4774802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).