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

C14H16N6S — CID 75498213

IUPAC5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NCc2cn[nH]c2-c2cccnc2)s1
InChIInChI=1S/C14H16N6S/c1-2-4-12-18-20-14(21-12)16-8-11-9-17-19-13(11)10-5-3-6-15-7-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,20)(H,17,19)
InChIKeyPSHHUSOJRHDQHN-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.89
Rot. Bonds6

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

5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 75498213) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID75498213
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NCc2cn[nH]c2-c2cccnc2)s1
InChIInChI=1S/C14H16N6S/c1-2-4-12-18-20-14(21-12)16-8-11-9-17-19-13(11)10-5-3-6-15-7-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,20)(H,17,19)
InChIKeyPSHHUSOJRHDQHN-UHFFFAOYSA-N
XLogP2.89
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 75498213) is 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCCc1nnc(NCc2cn[nH]c2-c2cccnc2)s1.
What is the InChIKey of 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PSHHUSOJRHDQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-4-12-18-20-14(21-12)16-8-11-9-17-19-13(11)10-5-3-6-15-7-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 300.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75498213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).