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

C10H19N3S — CID 105146026

IUPAC2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCCCNC(c1cnns1)C(C)(C)C
InChIInChI=1S/C10H19N3S/c1-5-6-11-9(10(2,3)4)8-7-12-13-14-8/h7,9,11H,5-6H2,1-4H3
InChIKeyBDPHOHKQJAETTH-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.62
Rot. Bonds4

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

2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine (PubChem CID 105146026) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
PubChem CID105146026
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCCCNC(c1cnns1)C(C)(C)C
InChIInChI=1S/C10H19N3S/c1-5-6-11-9(10(2,3)4)8-7-12-13-14-8/h7,9,11H,5-6H2,1-4H3
InChIKeyBDPHOHKQJAETTH-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine (CID 105146026) is 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine is CCCNC(c1cnns1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The InChIKey is BDPHOHKQJAETTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-6-11-9(10(2,3)4)8-7-12-13-14-8/h7,9,11H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105146026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).