N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine

C6H11N3S — CID 82415856

IUPACN-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ncns1
InChIInChI=1S/C6H11N3S/c1-5(2)7-3-6-8-4-9-10-6/h4-5,7H,3H2,1-2H3
InChIKeyXKRURVYOWNLSAD-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.04
Rot. Bonds3

About N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine

N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine (PubChem CID 82415856) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine
PubChem CID82415856
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ncns1
InChIInChI=1S/C6H11N3S/c1-5(2)7-3-6-8-4-9-10-6/h4-5,7H,3H2,1-2H3
InChIKeyXKRURVYOWNLSAD-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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Related Compounds

5-Pyrrolidin-2-yl-1,2,4-thiadiazole
CID 19934504
5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
CID 68841070
N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine
CID 70458127
N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine
CID 70458476
(1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 82417878
(1,2,4-Thiadiazol-5-yl)methanamine
CID 82418955
1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine
CID 137472593
N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine
CID 141122334
N-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]propan-2-amine
CID 172205614
N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65275618
2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275741
N-methyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65279995

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine (CID 82415856) is N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine is CC(C)NCc1ncns1.
What is the InChIKey of N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine?
The InChIKey is XKRURVYOWNLSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-5(2)7-3-6-8-4-9-10-6/h4-5,7H,3H2,1-2H3.
What are the key properties of N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine?
N-(1,2,4-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-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 82415856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).