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

C10H13N3S — CID 10584459

IUPAC5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(C)c2cnc[nH]2)s1
InChIInChI=1S/C10H13N3S/c1-6(9-4-11-5-12-9)10-7(2)13-8(3)14-10/h4-6H,1-3H3,(H,11,12)
InChIKeyBOLXVDITGDTYDV-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.63
Rot. Bonds2

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

5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 10584459) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole
PubChem CID10584459
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(C)c2cnc[nH]2)s1
InChIInChI=1S/C10H13N3S/c1-6(9-4-11-5-12-9)10-7(2)13-8(3)14-10/h4-6H,1-3H3,(H,11,12)
InChIKeyBOLXVDITGDTYDV-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole (CID 10584459) is 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(C(C)c2cnc[nH]2)s1.
What is the InChIKey of 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is BOLXVDITGDTYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6(9-4-11-5-12-9)10-7(2)13-8(3)14-10/h4-6H,1-3H3,(H,11,12).
What are the key properties of 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 207.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 10584459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).