[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine

C14H20N4OS — CID 114720232

IUPAC[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1csc(CCn2cncc2C(N)C2CCOC2)n1
InChIInChI=1S/C14H20N4OS/c1-10-8-20-13(17-10)2-4-18-9-16-6-12(18)14(15)11-3-5-19-7-11/h6,8-9,11,14H,2-5,7,15H2,1H3
InChIKeyACVLYSNUCPJAMD-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.93
Rot. Bonds5

About [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114720232) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114720232
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1csc(CCn2cncc2C(N)C2CCOC2)n1
InChIInChI=1S/C14H20N4OS/c1-10-8-20-13(17-10)2-4-18-9-16-6-12(18)14(15)11-3-5-19-7-11/h6,8-9,11,14H,2-5,7,15H2,1H3
InChIKeyACVLYSNUCPJAMD-UHFFFAOYSA-N
XLogP1.93
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine with MolForge

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Related Compounds

[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718953
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106410300
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104943036
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine
CID 114721830
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114720232) is [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine is Cc1csc(CCn2cncc2C(N)C2CCOC2)n1.
What is the InChIKey of [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is ACVLYSNUCPJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-8-20-13(17-10)2-4-18-9-16-6-12(18)14(15)11-3-5-19-7-11/h6,8-9,11,14H,2-5,7,15H2,1H3.
What are the key properties of [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 292.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114720232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).