5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole

C8H13N3S — CID 142175086

IUPAC5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NCC(CC2=NCCN2)S1
InChIInChI=1S/C8H13N3S/c1-6-11-5-7(12-6)4-8-9-2-3-10-8/h7H,2-5H2,1H3,(H,9,10)
InChIKeyUHZJAOJFBYACOX-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.91
Rot. Bonds2

About 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole

5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 142175086) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole
PubChem CID142175086
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NCC(CC2=NCCN2)S1
InChIInChI=1S/C8H13N3S/c1-6-11-5-7(12-6)4-8-9-2-3-10-8/h7H,2-5H2,1H3,(H,9,10)
InChIKeyUHZJAOJFBYACOX-UHFFFAOYSA-N
XLogP0.91
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)-N-[2-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethylamino]ethylsulfanyl]ethyl]ethanamine
CID 328360
2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
CID 90875988
3-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)propan-1-amine
CID 121451260
2-methyl-5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
CID 142566300
N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide
CID 148883519
2-methyl-4,5-dihydro-1H-imidazole;2-methyl-4,5-dihydro-1,3-thiazole
CID 157829376
N-(2-methylsulfanylethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 12545463
2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole
CID 14150581
2-(butylsulfanylmethyl)-4,5-dihydro-1H-imidazole
CID 14150582
5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole
CID 14150584
N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79503136
N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79503335

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole (CID 142175086) is 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole is CC1=NCC(CC2=NCCN2)S1.
What is the InChIKey of 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is UHZJAOJFBYACOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-11-5-7(12-6)4-8-9-2-3-10-8/h7H,2-5H2,1H3,(H,9,10).
What are the key properties of 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole?
5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 183.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 142175086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).