2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole

C13H13N3S — CID 116970087

IUPAC2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
SMILESCCc1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C13H13N3S/c1-3-13-15-11(7-17-13)9-4-5-12-10(6-9)14-8-16(12)2/h4-8H,3H2,1-2H3
InChIKeyDFEJKNINAGXTBE-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.26
Rot. Bonds2

About 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole

2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole (PubChem CID 116970087) has the molecular formula C13H13N3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
PubChem CID116970087
Molecular FormulaC13H13N3S
Molecular Weight243.33 g/mol
Exact Mass243.08
IUPAC Name2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
SMILESCCc1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C13H13N3S/c1-3-13-15-11(7-17-13)9-4-5-12-10(6-9)14-8-16(12)2/h4-8H,3H2,1-2H3
InChIKeyDFEJKNINAGXTBE-UHFFFAOYSA-N
XLogP3.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566814
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
CID 158900743
4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 82497594
[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 116889071
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
CID 87941730
2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile
CID 116895055
2-[4-(1,2-dimethylbenzimidazol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 116966293
[2-(1-methylbenzimidazol-5-yl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 95967179
4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
CID 116894060
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole (CID 116970087) is 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole is CCc1nc(-c2ccc3c(c2)ncn3C)cs1.
What is the InChIKey of 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole?
The InChIKey is DFEJKNINAGXTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-3-13-15-11(7-17-13)9-4-5-12-10(6-9)14-8-16(12)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole?
2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole has a molecular weight of 243.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 116970087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).