N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

C13H20N4S — CID 106719402

IUPACN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCCc1nc(Cn2cnc(CNC(C)C)c2)cs1
InChIInChI=1S/C13H20N4S/c1-4-13-16-12(8-18-13)7-17-6-11(15-9-17)5-14-10(2)3/h6,8-10,14H,4-5,7H2,1-3H3
InChIKeyYHUDRDLHJVYHAU-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.45
Rot. Bonds6

About N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719402) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719402
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCCc1nc(Cn2cnc(CNC(C)C)c2)cs1
InChIInChI=1S/C13H20N4S/c1-4-13-16-12(8-18-13)7-17-6-11(15-9-17)5-14-10(2)3/h6,8-10,14H,4-5,7H2,1-3H3
InChIKeyYHUDRDLHJVYHAU-UHFFFAOYSA-N
XLogP2.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 106719402) is N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is CCc1nc(Cn2cnc(CNC(C)C)c2)cs1.
What is the InChIKey of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is YHUDRDLHJVYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-13-16-12(8-18-13)7-17-6-11(15-9-17)5-14-10(2)3/h6,8-10,14H,4-5,7H2,1-3H3.
What are the key properties of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).