N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine

C12H23N5S — CID 129059236

IUPACN-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(C)C1=NCC(CCN(C)C2=NCCS2)N1
InChIInChI=1S/C12H23N5S/c1-4-16(2)11-14-9-10(15-11)5-7-17(3)12-13-6-8-18-12/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyOSNHFNXPOYQPNL-UHFFFAOYSA-N
MW269.42 g/mol
LogP0.69
Rot. Bonds4

About N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 129059236) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID129059236
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC NameN-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(C)C1=NCC(CCN(C)C2=NCCS2)N1
InChIInChI=1S/C12H23N5S/c1-4-16(2)11-14-9-10(15-11)5-7-17(3)12-13-6-8-18-12/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyOSNHFNXPOYQPNL-UHFFFAOYSA-N
XLogP0.69
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 129059236) is N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCN(C)C1=NCC(CCN(C)C2=NCCS2)N1.
What is the InChIKey of N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OSNHFNXPOYQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-4-16(2)11-14-9-10(15-11)5-7-17(3)12-13-6-8-18-12/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 269.42 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 129059236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).