2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine

C11H16N4S — CID 82239190

IUPAC2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
SMILESCc1nc(NC(C)Cc2ccsc2)c(N)[nH]1
InChIInChI=1S/C11H16N4S/c1-7(5-9-3-4-16-6-9)13-11-10(12)14-8(2)15-11/h3-4,6-7,13H,5,12H2,1-2H3,(H,14,15)
InChIKeyZSBJVKINXLPZQU-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine

2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine (PubChem CID 82239190) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
PubChem CID82239190
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
SMILESCc1nc(NC(C)Cc2ccsc2)c(N)[nH]1
InChIInChI=1S/C11H16N4S/c1-7(5-9-3-4-16-6-9)13-11-10(12)14-8(2)15-11/h3-4,6-7,13H,5,12H2,1-2H3,(H,14,15)
InChIKeyZSBJVKINXLPZQU-UHFFFAOYSA-N
XLogP2.40
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 80987707
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine
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3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
CID 62711856
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
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2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 63231055
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 63588798
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine (CID 82239190) is 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine is Cc1nc(NC(C)Cc2ccsc2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine?
The InChIKey is ZSBJVKINXLPZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(5-9-3-4-16-6-9)13-11-10(12)14-8(2)15-11/h3-4,6-7,13H,5,12H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine?
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine has a molecular weight of 236.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 82239190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).