4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine

C14H16N4S — CID 96679580

IUPAC4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCCn1c(C)nc2cc(-c3csc(NC)n3)ccc21
InChIInChI=1S/C14H16N4S/c1-4-18-9(2)16-11-7-10(5-6-13(11)18)12-8-19-14(15-3)17-12/h5-8H,4H2,1-3H3,(H,15,17)
InChIKeyDMXPUKQWDQNVAT-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.53
Rot. Bonds3

About 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine

4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 96679580) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID96679580
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCCn1c(C)nc2cc(-c3csc(NC)n3)ccc21
InChIInChI=1S/C14H16N4S/c1-4-18-9(2)16-11-7-10(5-6-13(11)18)12-8-19-14(15-3)17-12/h5-8H,4H2,1-3H3,(H,15,17)
InChIKeyDMXPUKQWDQNVAT-UHFFFAOYSA-N
XLogP3.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82500092
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole
CID 168526896
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82495604
1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid
CID 14023666
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
CID 104698565
N-methyl-4-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 86806465
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1,3-thiazol-2-amine
CID 9441746
1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride
CID 82500246
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine (CID 96679580) is 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine is CCn1c(C)nc2cc(-c3csc(NC)n3)ccc21.
What is the InChIKey of 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DMXPUKQWDQNVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-4-18-9(2)16-11-7-10(5-6-13(11)18)12-8-19-14(15-3)17-12/h5-8H,4H2,1-3H3,(H,15,17).
What are the key properties of 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 96679580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).