N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

C12H11N5S — CID 103746202

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-n2cc(CNc3nncs3)cn2)cc1
InChIInChI=1S/C12H11N5S/c1-2-4-11(5-3-1)17-8-10(7-15-17)6-13-12-16-14-9-18-12/h1-5,7-9H,6H2,(H,13,16)
InChIKeyPWHQIMPNAATYFX-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.34
Rot. Bonds4

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

N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103746202) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103746202
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-n2cc(CNc3nncs3)cn2)cc1
InChIInChI=1S/C12H11N5S/c1-2-4-11(5-3-1)17-8-10(7-15-17)6-13-12-16-14-9-18-12/h1-5,7-9H,6H2,(H,13,16)
InChIKeyPWHQIMPNAATYFX-UHFFFAOYSA-N
XLogP2.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-phenylpyrazol-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

Related Compounds

2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113354522
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43703054
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 43823571
N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43824580
4-chloro-2-iodo-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 107631770
4-bromo-3-chloro-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 107619206
1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47049899
N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829349
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 103746202) is N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is c1ccc(-n2cc(CNc3nncs3)cn2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PWHQIMPNAATYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-2-4-11(5-3-1)17-8-10(7-15-17)6-13-12-16-14-9-18-12/h1-5,7-9H,6H2,(H,13,16).
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103746202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).