5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine

C9H11N5S — CID 115924687

IUPAC5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2cncnc2)s1
InChIInChI=1S/C9H11N5S/c1-2-8-13-14-9(15-8)12-5-7-3-10-6-11-4-7/h3-4,6H,2,5H2,1H3,(H,12,14)
InChIKeyPHWJLWBTRFKWRI-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.50
Rot. Bonds4

About 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine

5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115924687) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID115924687
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2cncnc2)s1
InChIInChI=1S/C9H11N5S/c1-2-8-13-14-9(15-8)12-5-7-3-10-6-11-4-7/h3-4,6H,2,5H2,1H3,(H,12,14)
InChIKeyPHWJLWBTRFKWRI-UHFFFAOYSA-N
XLogP1.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115925012
5-ethyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924665
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide
CID 113341451
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936
5-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865662
N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 82669856
2-chloro-4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 107647925
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide
CID 103933900
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701
N-[(4,5-dibromothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648126
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647555

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 115924687) is 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NCc2cncnc2)s1.
What is the InChIKey of 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PHWJLWBTRFKWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-2-8-13-14-9(15-8)12-5-7-3-10-6-11-4-7/h3-4,6H,2,5H2,1H3,(H,12,14).
What are the key properties of 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 221.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115924687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).