N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H22N4S — CID 106285264

IUPACN-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCc2nccn2C)S1
InChIInChI=1S/C13H22N4S/c1-4-10(5-2)11-8-15-13(18-11)16-9-12-14-6-7-17(12)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyBDNYPEHIIRGXGZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.42
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285264) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285264
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCc2nccn2C)S1
InChIInChI=1S/C13H22N4S/c1-4-10(5-2)11-8-15-13(18-11)16-9-12-14-6-7-17(12)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyBDNYPEHIIRGXGZ-UHFFFAOYSA-N
XLogP2.42
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(2-cyclopropylpropan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285865
N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285186
N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 114168305
N'-ethyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285198
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114168314
3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 65039838
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285264) is N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCc2nccn2C)S1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BDNYPEHIIRGXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-10(5-2)11-8-15-13(18-11)16-9-12-14-6-7-17(12)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).