N-(thiadiazol-5-ylmethyl)propan-2-amine

C6H11N3S — CID 65214973

IUPACN-(thiadiazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cnns1
InChIInChI=1S/C6H11N3S/c1-5(2)7-3-6-4-8-9-10-6/h4-5,7H,3H2,1-2H3
InChIKeyBQRUGHGBTWFHOK-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.04
Rot. Bonds3

About N-(thiadiazol-5-ylmethyl)propan-2-amine

N-(thiadiazol-5-ylmethyl)propan-2-amine (PubChem CID 65214973) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-(thiadiazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(thiadiazol-5-ylmethyl)propan-2-amine
PubChem CID65214973
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-(thiadiazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cnns1
InChIInChI=1S/C6H11N3S/c1-5(2)7-3-6-4-8-9-10-6/h4-5,7H,3H2,1-2H3
InChIKeyBQRUGHGBTWFHOK-UHFFFAOYSA-N
XLogP1.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(thiadiazol-5-ylmethyl)propan-2-amine (CID 65214973) is N-(thiadiazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(thiadiazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(thiadiazol-5-ylmethyl)propan-2-amine is CC(C)NCc1cnns1.
What is the InChIKey of N-(thiadiazol-5-ylmethyl)propan-2-amine?
The InChIKey is BQRUGHGBTWFHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-5(2)7-3-6-4-8-9-10-6/h4-5,7H,3H2,1-2H3.
What are the key properties of N-(thiadiazol-5-ylmethyl)propan-2-amine?
N-(thiadiazol-5-ylmethyl)propan-2-amine has a molecular weight of 157.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 65214973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).