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

C12H19N5S — CID 112670593

IUPAC3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nn(C)cc1CNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C12H19N5S/c1-8-9(7-17(5)15-8)6-13-11-14-10(16-18-11)12(2,3)4/h7H,6H2,1-5H3,(H,13,14,16)
InChIKeyAMPFHVGEETWLNJ-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.49
Rot. Bonds3

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

3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 112670593) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID112670593
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nn(C)cc1CNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C12H19N5S/c1-8-9(7-17(5)15-8)6-13-11-14-10(16-18-11)12(2,3)4/h7H,6H2,1-5H3,(H,13,14,16)
InChIKeyAMPFHVGEETWLNJ-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133495057
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 112670751
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112671804
3-tert-butyl-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 114700767
3-tert-butyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65270918
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599696
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 112671215
3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952653
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115767853

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 112670593) is 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1nn(C)cc1CNc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is AMPFHVGEETWLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-8-9(7-17(5)15-8)6-13-11-14-10(16-18-11)12(2,3)4/h7H,6H2,1-5H3,(H,13,14,16).
What are the key properties of 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 265.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 112670593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).