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

C19H21N7S — CID 91379925

IUPACN-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccn(C(C)c2nnc(Nc3ccn(Cc4ccccc4C)n3)s2)n1
InChIInChI=1S/C19H21N7S/c1-13-6-4-5-7-16(13)12-25-10-9-17(24-25)20-19-22-21-18(27-19)15(3)26-11-8-14(2)23-26/h4-11,15H,12H2,1-3H3,(H,20,22,24)
InChIKeyBSYMCEOFJNGAAA-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.95
Rot. Bonds6

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

N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 91379925) has the molecular formula C19H21N7S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID91379925
Molecular FormulaC19H21N7S
Molecular Weight379.49 g/mol
Exact Mass379.16
IUPAC NameN-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccn(C(C)c2nnc(Nc3ccn(Cc4ccccc4C)n3)s2)n1
InChIInChI=1S/C19H21N7S/c1-13-6-4-5-7-16(13)12-25-10-9-17(24-25)20-19-22-21-18(27-19)15(3)26-11-8-14(2)23-26/h4-11,15H,12H2,1-3H3,(H,20,22,24)
InChIKeyBSYMCEOFJNGAAA-UHFFFAOYSA-N
XLogP3.95
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-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 N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 91379925) is N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1ccn(C(C)c2nnc(Nc3ccn(Cc4ccccc4C)n3)s2)n1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BSYMCEOFJNGAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7S/c1-13-6-4-5-7-16(13)12-25-10-9-17(24-25)20-19-22-21-18(27-19)15(3)26-11-8-14(2)23-26/h4-11,15H,12H2,1-3H3,(H,20,22,24).
What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 379.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91379925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).