4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine

C14H16N4S — CID 96679578

IUPAC4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine
SMILESCC(C)c1nc2cc(-c3csc(N)n3)ccc2n1C
InChIInChI=1S/C14H16N4S/c1-8(2)13-16-10-6-9(4-5-12(10)18(13)3)11-7-19-14(15)17-11/h4-8H,1-3H3,(H2,15,17)
InChIKeyLJVIRDMNTZDBCJ-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.40
Rot. Bonds2

About 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine

4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 96679578) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine
PubChem CID96679578
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine
SMILESCC(C)c1nc2cc(-c3csc(N)n3)ccc2n1C
InChIInChI=1S/C14H16N4S/c1-8(2)13-16-10-6-9(4-5-12(10)18(13)3)11-7-19-14(15)17-11/h4-8H,1-3H3,(H2,15,17)
InChIKeyLJVIRDMNTZDBCJ-UHFFFAOYSA-N
XLogP3.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456
4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 82497594
4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82500092
4-[6-(2-amino-1,3-thiazol-4-yl)-9-pentylcarbazol-3-yl]-1,3-thiazol-2-amine
CID 132519535
1-methyl-5-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxylic acid
CID 117480854
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine
CID 117397222
4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
4-(1-methyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-amine
CID 138751510
2-[4-(1,2-dimethylbenzimidazol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 116966293
6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 163320821

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine (CID 96679578) is 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine is CC(C)c1nc2cc(-c3csc(N)n3)ccc2n1C.
What is the InChIKey of 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is LJVIRDMNTZDBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-8(2)13-16-10-6-9(4-5-12(10)18(13)3)11-7-19-14(15)17-11/h4-8H,1-3H3,(H2,15,17).
What are the key properties of 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 96679578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).