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

C11H19N7S2 — CID 18101373

IUPACN-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1nnnc1CSc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C11H19N7S2/c1-5-6-18-8(13-16-17-18)7-19-10-15-14-9(20-10)12-11(2,3)4/h5-7H2,1-4H3,(H,12,14)
InChIKeyAUCMUDYJBIJNPZ-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.44
Rot. Bonds6

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

N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18101373) has the molecular formula C11H19N7S2 and a molecular weight of 313.46 g/mol. Its IUPAC name is N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18101373
Molecular FormulaC11H19N7S2
Molecular Weight313.46 g/mol
Exact Mass313.11
IUPAC NameN-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1nnnc1CSc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C11H19N7S2/c1-5-6-18-8(13-16-17-18)7-19-10-15-14-9(20-10)12-11(2,3)4/h5-7H2,1-4H3,(H,12,14)
InChIKeyAUCMUDYJBIJNPZ-UHFFFAOYSA-N
XLogP2.44
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 18101373) is N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCn1nnnc1CSc1nnc(NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AUCMUDYJBIJNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7S2/c1-5-6-18-8(13-16-17-18)7-19-10-15-14-9(20-10)12-11(2,3)4/h5-7H2,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 313.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18101373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).