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

C13H21N5S — CID 75483596

IUPAC5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1cc(CNc2nnc(C(C)(C)C)s2)cn1
InChIInChI=1S/C13H21N5S/c1-5-6-18-9-10(8-15-18)7-14-12-17-16-11(19-12)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyVSJPPVNJRVKJCW-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.05
Rot. Bonds5

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

5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 75483596) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID75483596
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1cc(CNc2nnc(C(C)(C)C)s2)cn1
InChIInChI=1S/C13H21N5S/c1-5-6-18-9-10(8-15-18)7-14-12-17-16-11(19-12)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyVSJPPVNJRVKJCW-UHFFFAOYSA-N
XLogP3.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-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

3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571495
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115702920
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313
(1-propylpyrazol-4-yl)methanethiol
CID 103573669
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964967
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[(1-propan-2-ylpyrazol-4-yl)methyl]urea
CID 46992349

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 75483596) is 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCCn1cc(CNc2nnc(C(C)(C)C)s2)cn1.
What is the InChIKey of 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VSJPPVNJRVKJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-6-18-9-10(8-15-18)7-14-12-17-16-11(19-12)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17).
What are the key properties of 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75483596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).