N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine

C15H28N4S — CID 60856533

IUPACN,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN1CCC(CNCc2cnc(N(CC)CC)s2)C1
InChIInChI=1S/C15H28N4S/c1-4-18-8-7-13(12-18)9-16-10-14-11-17-15(20-14)19(5-2)6-3/h11,13,16H,4-10,12H2,1-3H3
InChIKeyJCSTZJZUSJHFTJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.42
Rot. Bonds8

About N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 60856533) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID60856533
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN1CCC(CNCc2cnc(N(CC)CC)s2)C1
InChIInChI=1S/C15H28N4S/c1-4-18-8-7-13(12-18)9-16-10-14-11-17-15(20-14)19(5-2)6-3/h11,13,16H,4-10,12H2,1-3H3
InChIKeyJCSTZJZUSJHFTJ-UHFFFAOYSA-N
XLogP2.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine (CID 60856533) is N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine is CCN1CCC(CNCc2cnc(N(CC)CC)s2)C1.
What is the InChIKey of N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is JCSTZJZUSJHFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-4-18-8-7-13(12-18)9-16-10-14-11-17-15(20-14)19(5-2)6-3/h11,13,16H,4-10,12H2,1-3H3.
What are the key properties of N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 296.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60856533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).