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

C13H16N6S — CID 97132861

IUPAC2-[(1S)-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-/m0/s1
InChIKeyJTTLJOFVDLJQGA-NSHDSACASA-N
MW288.38 g/mol
LogP2.74
Rot. Bonds4

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

2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 97132861) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole
PubChem CID97132861
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name2-[(1S)-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-/m0/s1
InChIKeyJTTLJOFVDLJQGA-NSHDSACASA-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

Analyze 2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole with MolForge

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Related Compounds

4-(1H-imidazol-2-yl)-1-[2-(2H-triazol-4-ylsulfanyl)ethyl]triazole
CID 70727084
1-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-4-(1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72878477
4-(4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}-1H-1,2,3-triazol-1-yl)piperidine
CID 70776889
2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 95209830
4-[(1S)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 95549776
1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 137883002
4-[2-(2-fluoroethyl)-5-(1H-imidazol-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 167782609
2'-butyl-1-[1-(1,3-thiazol-2-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56752146
1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56869532
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56917449
N-[[4-[[1-(1H-imidazol-2-yl)ethyl-(1H-imidazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 21084486
5-(1H-imidazol-2-yl)-2-(1,3-thiazol-4-yl)-1,3-thiazole
CID 69971556

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole (CID 97132861) is 2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(1S)-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-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is JTTLJOFVDLJQGA-NSHDSACASA-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-/m0/s1.
What are the key properties of 2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole?
2-[(1S)-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-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 97132861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).