N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C10H19N3S — CID 2798094

IUPACN-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCC(C)(C)C)s1
InChIInChI=1S/C10H19N3S/c1-7(2)8-12-13-9(14-8)11-6-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)
InChIKeyYIKDUCAVWKCLOE-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.12
Rot. Bonds3

About N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 2798094) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID2798094
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCC(C)(C)C)s1
InChIInChI=1S/C10H19N3S/c1-7(2)8-12-13-9(14-8)11-6-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)
InChIKeyYIKDUCAVWKCLOE-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 2798094) is N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCC(C)(C)C)s1.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is YIKDUCAVWKCLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(2)8-12-13-9(14-8)11-6-10(3,4)5/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2798094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).