N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine

C8H11N5S — CID 137213794

IUPACN-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2cn[nH]c2)ns1
InChIInChI=1S/C8H11N5S/c1-2-3-9-8-12-7(13-14-8)6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H,10,11)(H,9,12,13)
InChIKeyAICWRZUKVUAJDU-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.75
Rot. Bonds4

About N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine

N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 137213794) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID137213794
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2cn[nH]c2)ns1
InChIInChI=1S/C8H11N5S/c1-2-3-9-8-12-7(13-14-8)6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H,10,11)(H,9,12,13)
InChIKeyAICWRZUKVUAJDU-UHFFFAOYSA-N
XLogP1.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine (CID 137213794) is N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine is CCCNc1nc(-c2cn[nH]c2)ns1.
What is the InChIKey of N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AICWRZUKVUAJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-2-3-9-8-12-7(13-14-8)6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H,10,11)(H,9,12,13).
What are the key properties of N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 209.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 137213794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).