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

C8H15N3S — CID 105146095

IUPACN,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCNC(c1cnns1)C(C)(C)C
InChIInChI=1S/C8H15N3S/c1-8(2,3)7(9-4)6-5-10-11-12-6/h5,7,9H,1-4H3
InChIKeyUWHCWWWVCNAQHQ-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.84
Rot. Bonds2

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

N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine (PubChem CID 105146095) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine
PubChem CID105146095
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCNC(c1cnns1)C(C)(C)C
InChIInChI=1S/C8H15N3S/c1-8(2,3)7(9-4)6-5-10-11-12-6/h5,7,9H,1-4H3
InChIKeyUWHCWWWVCNAQHQ-UHFFFAOYSA-N
XLogP1.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine (CID 105146095) is N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine is CNC(c1cnns1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The InChIKey is UWHCWWWVCNAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-8(2,3)7(9-4)6-5-10-11-12-6/h5,7,9H,1-4H3.
What are the key properties of N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine?
N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine has a molecular weight of 185.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(thiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105146095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).