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

C10H13N5S — CID 115925012

IUPAC5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NCc2cncnc2)s1
InChIInChI=1S/C10H13N5S/c1-2-3-9-14-15-10(16-9)13-6-8-4-11-7-12-5-8/h4-5,7H,2-3,6H2,1H3,(H,13,15)
InChIKeyGJAPDDIUAAIWJF-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.89
Rot. Bonds5

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

5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115925012) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID115925012
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NCc2cncnc2)s1
InChIInChI=1S/C10H13N5S/c1-2-3-9-14-15-10(16-9)13-6-8-4-11-7-12-5-8/h4-5,7H,2-3,6H2,1H3,(H,13,15)
InChIKeyGJAPDDIUAAIWJF-UHFFFAOYSA-N
XLogP1.89
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
5-propyl-N-(1H-pyrrol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115925016
5-propyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75498213
N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 82669856
5-ethyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924665
5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115910533
N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
CID 21239238
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 80609142
1-(4-bromophenyl)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethanone
CID 110825509
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide
CID 113341451
ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 82316839

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 115925012) is 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine is CCCc1nnc(NCc2cncnc2)s1.
What is the InChIKey of 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GJAPDDIUAAIWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-3-9-14-15-10(16-9)13-6-8-4-11-7-12-5-8/h4-5,7H,2-3,6H2,1H3,(H,13,15).
What are the key properties of 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 235.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115925012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).