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

C17H19N5S — CID 133386177

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NCc3ccn(C4CCCC4)n3)n2)cc1
InChIInChI=1S/C17H19N5S/c1-2-6-13(7-3-1)16-19-17(23-21-16)18-12-14-10-11-22(20-14)15-8-4-5-9-15/h1-3,6-7,10-11,15H,4-5,8-9,12H2,(H,18,19,21)
InChIKeyMFMLOVWYJPXHGQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.13
Rot. Bonds5

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

N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133386177) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133386177
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NCc3ccn(C4CCCC4)n3)n2)cc1
InChIInChI=1S/C17H19N5S/c1-2-6-13(7-3-1)16-19-17(23-21-16)18-12-14-10-11-22(20-14)15-8-4-5-9-15/h1-3,6-7,10-11,15H,4-5,8-9,12H2,(H,18,19,21)
InChIKeyMFMLOVWYJPXHGQ-UHFFFAOYSA-N
XLogP4.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 127939534
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 133386213
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 167855564
N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 133385979
2,4,6-tribromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 64800838
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
CID 64801006
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133386177) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is c1ccc(-c2nsc(NCc3ccn(C4CCCC4)n3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MFMLOVWYJPXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-2-6-13(7-3-1)16-19-17(23-21-16)18-12-14-10-11-22(20-14)15-8-4-5-9-15/h1-3,6-7,10-11,15H,4-5,8-9,12H2,(H,18,19,21).
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 325.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133386177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).