4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole

C13H19N3S — CID 10586729

IUPAC4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1nc(Cc2cnc[nH]2)c(C(C)C)s1
InChIInChI=1S/C13H19N3S/c1-8(2)12-11(5-10-6-14-7-15-10)16-13(17-12)9(3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyCYOKBKNVQYMMBO-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.70
Rot. Bonds4

About 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole

4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 10586729) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID10586729
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1nc(Cc2cnc[nH]2)c(C(C)C)s1
InChIInChI=1S/C13H19N3S/c1-8(2)12-11(5-10-6-14-7-15-10)16-13(17-12)9(3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyCYOKBKNVQYMMBO-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole (CID 10586729) is 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole is CC(C)c1nc(Cc2cnc[nH]2)c(C(C)C)s1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is CYOKBKNVQYMMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-8(2)12-11(5-10-6-14-7-15-10)16-13(17-12)9(3)4/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole?
4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 249.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 10586729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).