N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine

C20H19N5S — CID 112840242

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1nn(-c2ccccc2)c(C)c1CNc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H19N5S/c1-14-18(15(2)25(24-14)17-11-7-4-8-12-17)13-21-20-23-22-19(26-20)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyBDVJKKLKFXXHMO-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.62
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 112840242) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID112840242
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1nn(-c2ccccc2)c(C)c1CNc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H19N5S/c1-14-18(15(2)25(24-14)17-11-7-4-8-12-17)13-21-20-23-22-19(26-20)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyBDVJKKLKFXXHMO-UHFFFAOYSA-N
XLogP4.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133358499
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 17421626
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
1-(1-benzothiophen-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 112806117
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 8851232
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449506
2-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethylguanidine
CID 110954308

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine (CID 112840242) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine is Cc1nn(-c2ccccc2)c(C)c1CNc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BDVJKKLKFXXHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-14-18(15(2)25(24-14)17-11-7-4-8-12-17)13-21-20-23-22-19(26-20)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 361.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 112840242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).