2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine

C11H17N5S — CID 66375324

IUPAC2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1nnc(-c2csc(CCN)n2)n1C(C)C
InChIInChI=1S/C11H17N5S/c1-7(2)16-8(3)14-15-11(16)9-6-17-10(13-9)4-5-12/h6-7H,4-5,12H2,1-3H3
InChIKeyULWAKLAZKUTTMG-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.79
Rot. Bonds4

About 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine

2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66375324) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66375324
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1nnc(-c2csc(CCN)n2)n1C(C)C
InChIInChI=1S/C11H17N5S/c1-7(2)16-8(3)14-15-11(16)9-6-17-10(13-9)4-5-12/h6-7H,4-5,12H2,1-3H3
InChIKeyULWAKLAZKUTTMG-UHFFFAOYSA-N
XLogP1.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine (CID 66375324) is 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine is Cc1nnc(-c2csc(CCN)n2)n1C(C)C.
What is the InChIKey of 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is ULWAKLAZKUTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(2)16-8(3)14-15-11(16)9-6-17-10(13-9)4-5-12/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 251.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66375324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).