4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine

C11H17N5S — CID 115825958

IUPAC4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine
SMILESCCc1nc(CCCc2csc(N)n2)n(C)n1
InChIInChI=1S/C11H17N5S/c1-3-9-14-10(16(2)15-9)6-4-5-8-7-17-11(12)13-8/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeyKPRKWIZDXZAWHT-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.59
Rot. Bonds5

About 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine

4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 115825958) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine
PubChem CID115825958
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine
SMILESCCc1nc(CCCc2csc(N)n2)n(C)n1
InChIInChI=1S/C11H17N5S/c1-3-9-14-10(16(2)15-9)6-4-5-8-7-17-11(12)13-8/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeyKPRKWIZDXZAWHT-UHFFFAOYSA-N
XLogP1.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62722491
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 62721080
4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
CID 62786742
4-[2-(4-propylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65484061
4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
CID 72841713
4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride
CID 174616600
4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-1,3-thiazol-2-amine
CID 80655974
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 130735866

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine (CID 115825958) is 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine is CCc1nc(CCCc2csc(N)n2)n(C)n1.
What is the InChIKey of 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is KPRKWIZDXZAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-9-14-10(16(2)15-9)6-4-5-8-7-17-11(12)13-8/h7H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine?
4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115825958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).