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

C15H23N5S — CID 127939534

IUPAC3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCc2ccn(C3CCCC3)n2)n1
InChIInChI=1S/C15H23N5S/c1-15(2,3)13-17-14(21-19-13)16-10-11-8-9-20(18-11)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,16,17,19)
InChIKeyBFORQHBVSJGBLF-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.76
Rot. Bonds4

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

3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 127939534) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID127939534
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCc2ccn(C3CCCC3)n2)n1
InChIInChI=1S/C15H23N5S/c1-15(2,3)13-17-14(21-19-13)16-10-11-8-9-20(18-11)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,16,17,19)
InChIKeyBFORQHBVSJGBLF-UHFFFAOYSA-N
XLogP3.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133386177
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 133386213
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
2-[(1-cyclohexylpyrazol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64800330
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine
CID 133386163
3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271142
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705188

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 127939534) is 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NCc2ccn(C3CCCC3)n2)n1.
What is the InChIKey of 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BFORQHBVSJGBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-15(2,3)13-17-14(21-19-13)16-10-11-8-9-20(18-11)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,16,17,19).
What are the key properties of 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 305.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 127939534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).