5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine

C13H20N4S2 — CID 82431302

IUPAC5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2sc(CC)nc2CCC)s1
InChIInChI=1S/C13H20N4S2/c1-4-7-9-11(18-10(6-3)15-9)12-16-17-13(19-12)14-8-5-2/h4-8H2,1-3H3,(H,14,17)
InChIKeyXKNJDNGSITYMBG-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.00
Rot. Bonds7

About 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 82431302) has the molecular formula C13H20N4S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID82431302
Molecular FormulaC13H20N4S2
Molecular Weight296.46 g/mol
Exact Mass296.11
IUPAC Name5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2sc(CC)nc2CCC)s1
InChIInChI=1S/C13H20N4S2/c1-4-7-9-11(18-10(6-3)15-9)12-16-17-13(19-12)14-8-5-2/h4-8H2,1-3H3,(H,14,17)
InChIKeyXKNJDNGSITYMBG-UHFFFAOYSA-N
XLogP4.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82431304
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82425681
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82436910
N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82432074
N-ethyl-5-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433612
4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82439938
N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82428139
N-ethyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82428133
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435916
N-(2-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423523
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 82431302) is 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2sc(CC)nc2CCC)s1.
What is the InChIKey of 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XKNJDNGSITYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-4-7-9-11(18-10(6-3)15-9)12-16-17-13(19-12)14-8-5-2/h4-8H2,1-3H3,(H,14,17).
What are the key properties of 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 296.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82431302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).