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

C11H16N4S — CID 105187648

IUPAC3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ncsc1C(N)CCc1nccn1C
InChIInChI=1S/C11H16N4S/c1-8-11(16-7-14-8)9(12)3-4-10-13-5-6-15(10)2/h5-7,9H,3-4,12H2,1-2H3
InChIKeyIMRZNVHBRZEOSC-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.82
Rot. Bonds4

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

3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 105187648) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID105187648
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ncsc1C(N)CCc1nccn1C
InChIInChI=1S/C11H16N4S/c1-8-11(16-7-14-8)9(12)3-4-10-13-5-6-15(10)2/h5-7,9H,3-4,12H2,1-2H3
InChIKeyIMRZNVHBRZEOSC-UHFFFAOYSA-N
XLogP1.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103407559
[2-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 105322886
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine
CID 105187627
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529940
1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187716
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 105187648) is 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is Cc1ncsc1C(N)CCc1nccn1C.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is IMRZNVHBRZEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8-11(16-7-14-8)9(12)3-4-10-13-5-6-15(10)2/h5-7,9H,3-4,12H2,1-2H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105187648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).