4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole

C16H15N5OS — CID 56866493

IUPAC4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole
SMILESCc1ncsc1CCCn1ccnc1-c1cccc2nonc12
InChIInChI=1S/C16H15N5OS/c1-11-14(23-10-18-11)6-3-8-21-9-7-17-16(21)12-4-2-5-13-15(12)20-22-19-13/h2,4-5,7,9-10H,3,6,8H2,1H3
InChIKeyLWBCMNHTAXUIBA-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.48
Rot. Bonds5

About 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole

4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole (PubChem CID 56866493) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole
PubChem CID56866493
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole
SMILESCc1ncsc1CCCn1ccnc1-c1cccc2nonc12
InChIInChI=1S/C16H15N5OS/c1-11-14(23-10-18-11)6-3-8-21-9-7-17-16(21)12-4-2-5-13-15(12)20-22-19-13/h2,4-5,7,9-10H,3,6,8H2,1H3
InChIKeyLWBCMNHTAXUIBA-UHFFFAOYSA-N
XLogP3.48
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole with MolForge

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Related Compounds

5-Nitro-2-[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1,3-thiazole
CID 2744259
1-benzyl-2-thiazol-4-yl-1H-benzoimidazole
CID 11208551
4-[4-(4-Methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
CID 56952125
2-[4-(4-Methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
CID 56953325
3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-1H-indole
CID 44287513
1-(2-Methyl-benzyl)-2-thiazol-5-yl-1H-benzoimidazole
CID 656217
1-benzyl-2-(1,3-thiazol-5-yl)-1H-benzimidazole
CID 971190
1-Propyl-2-[1-(4-p-tolyl-thiazol-2-yl)-pyrrolidin-2-yl]-1H-benzoimidazole
CID 24789405
2-(4-(3-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)propyl)piperazin-1-yl)-4-p-tolylthiazole
CID 24817248
3-(2-Methylsulfanylbenzimidazol-1-yl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 156010770
N,N-diethyl-5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
CID 137550364
N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446631

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole (CID 56866493) is 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole is Cc1ncsc1CCCn1ccnc1-c1cccc2nonc12.
What is the InChIKey of 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole?
The InChIKey is LWBCMNHTAXUIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-11-14(23-10-18-11)6-3-8-21-9-7-17-16(21)12-4-2-5-13-15(12)20-22-19-13/h2,4-5,7,9-10H,3,6,8H2,1H3.
What are the key properties of 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole?
4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole has a molecular weight of 325.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 56866493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).