2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole

C13H16N6S — CID 97132862

IUPAC2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole
SMILESCC[C@H](c1nc(C)c(C)s1)n1cc(-c2ncc[nH]2)nn1
InChIInChI=1S/C13H16N6S/c1-4-11(13-16-8(2)9(3)20-13)19-7-10(17-18-19)12-14-5-6-15-12/h5-7,11H,4H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyJTTLJOFVDLJQGA-LLVKDONJSA-N
MW288.38 g/mol
LogP2.74
Rot. Bonds4

About 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole

2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 97132862) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole
PubChem CID97132862
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole
SMILESCC[C@H](c1nc(C)c(C)s1)n1cc(-c2ncc[nH]2)nn1
InChIInChI=1S/C13H16N6S/c1-4-11(13-16-8(2)9(3)20-13)19-7-10(17-18-19)12-14-5-6-15-12/h5-7,11H,4H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyJTTLJOFVDLJQGA-LLVKDONJSA-N
XLogP2.74
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole (CID 97132862) is 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole is CC[C@H](c1nc(C)c(C)s1)n1cc(-c2ncc[nH]2)nn1.
What is the InChIKey of 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is JTTLJOFVDLJQGA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N6S/c1-4-11(13-16-8(2)9(3)20-13)19-7-10(17-18-19)12-14-5-6-15-12/h5-7,11H,4H2,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole?
2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 288.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 97132862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).