2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine

C7H13N3S — CID 105146034

IUPAC2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCC(C)(C)C(N)c1cnns1
InChIInChI=1S/C7H13N3S/c1-7(2,3)6(8)5-4-9-10-11-5/h4,6H,8H2,1-3H3
InChIKeyOILIVLNBFYTUJA-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.58
Rot. Bonds1

About 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine

2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine (PubChem CID 105146034) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine
PubChem CID105146034
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCC(C)(C)C(N)c1cnns1
InChIInChI=1S/C7H13N3S/c1-7(2,3)6(8)5-4-9-10-11-5/h4,6H,8H2,1-3H3
InChIKeyOILIVLNBFYTUJA-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine (CID 105146034) is 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine is CC(C)(C)C(N)c1cnns1.
What is the InChIKey of 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The InChIKey is OILIVLNBFYTUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-7(2,3)6(8)5-4-9-10-11-5/h4,6H,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine?
2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine has a molecular weight of 171.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105146034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).