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

C17H13N3S — CID 57231798

IUPAC2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole
SMILESc1ccc2cc(-c3csc(Cc4cnc[nH]4)n3)ccc2c1
InChIInChI=1S/C17H13N3S/c1-2-4-13-7-14(6-5-12(13)3-1)16-10-21-17(20-16)8-15-9-18-11-19-15/h1-7,9-11H,8H2,(H,18,19)
InChIKeyMUASOUMLHVUKKD-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.28
Rot. Bonds3

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

2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole (PubChem CID 57231798) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole
PubChem CID57231798
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole
SMILESc1ccc2cc(-c3csc(Cc4cnc[nH]4)n3)ccc2c1
InChIInChI=1S/C17H13N3S/c1-2-4-13-7-14(6-5-12(13)3-1)16-10-21-17(20-16)8-15-9-18-11-19-15/h1-7,9-11H,8H2,(H,18,19)
InChIKeyMUASOUMLHVUKKD-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole (CID 57231798) is 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole is c1ccc2cc(-c3csc(Cc4cnc[nH]4)n3)ccc2c1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole?
The InChIKey is MUASOUMLHVUKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-4-13-7-14(6-5-12(13)3-1)16-10-21-17(20-16)8-15-9-18-11-19-15/h1-7,9-11H,8H2,(H,18,19).
What are the key properties of 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole?
2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole has a molecular weight of 291.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 57231798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).