1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one

C14H14N4OS — CID 116575680

IUPAC1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCn1c(CC(=O)Cc2csc(N)n2)nc2ccccc21
InChIInChI=1S/C14H14N4OS/c1-18-12-5-3-2-4-11(12)17-13(18)7-10(19)6-9-8-20-14(15)16-9/h2-5,8H,6-7H2,1H3,(H2,15,16)
InChIKeyXIMDINRJIDDWAI-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.97
Rot. Bonds4

About 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one

1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one (PubChem CID 116575680) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
PubChem CID116575680
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCn1c(CC(=O)Cc2csc(N)n2)nc2ccccc21
InChIInChI=1S/C14H14N4OS/c1-18-12-5-3-2-4-11(12)17-13(18)7-10(19)6-9-8-20-14(15)16-9/h2-5,8H,6-7H2,1H3,(H2,15,16)
InChIKeyXIMDINRJIDDWAI-UHFFFAOYSA-N
XLogP1.97
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
CID 79753774
3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91832585
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
CID 116575844
1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
CID 116575731
1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79755509
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
4,5,5-trimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-one
CID 115782482
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one (CID 116575680) is 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one is Cn1c(CC(=O)Cc2csc(N)n2)nc2ccccc21.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The InChIKey is XIMDINRJIDDWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-18-12-5-3-2-4-11(12)17-13(18)7-10(19)6-9-8-20-14(15)16-9/h2-5,8H,6-7H2,1H3,(H2,15,16).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one has a molecular weight of 286.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116575680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).