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

C18H18ClN7S — CID 19585354

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccnn1C(C)c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1
InChIInChI=1S/C18H18ClN7S/c1-12-7-9-20-26(12)13(2)17-22-23-18(27-17)21-16-8-10-25(24-16)11-14-5-3-4-6-15(14)19/h3-10,13H,11H2,1-2H3,(H,21,23,24)
InChIKeyKFUPFHIAEKWUED-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.29
Rot. Bonds6

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

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 19585354) has the molecular formula C18H18ClN7S and a molecular weight of 399.91 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID19585354
Molecular FormulaC18H18ClN7S
Molecular Weight399.91 g/mol
Exact Mass399.10
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccnn1C(C)c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1
InChIInChI=1S/C18H18ClN7S/c1-12-7-9-20-26(12)13(2)17-22-23-18(27-17)21-16-8-10-25(24-16)11-14-5-3-4-6-15(14)19/h3-10,13H,11H2,1-2H3,(H,21,23,24)
InChIKeyKFUPFHIAEKWUED-UHFFFAOYSA-N
XLogP4.29
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-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

Related Compounds

N-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 46945349
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 17024519
N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 91379925
N-[1-[(2-bromophenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 46945165
N-(1-benzylpyrazol-3-yl)-5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 51388442
N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 46945542
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 19585438
N-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 46945756
N-(1-benzylpyrazol-3-yl)-5-[(1S)-1-(4-bromopyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 51388461
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 17024330
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 19585139
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 46945954

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 19585354) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1ccnn1C(C)c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KFUPFHIAEKWUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7S/c1-12-7-9-20-26(12)13(2)17-22-23-18(27-17)21-16-8-10-25(24-16)11-14-5-3-4-6-15(14)19/h3-10,13H,11H2,1-2H3,(H,21,23,24).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 399.91 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[1-(5-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 19585354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).