N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine

C13H23N3S — CID 154839168

IUPACN,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCCc1csc(N2CCC(N(CC)CC)C2)n1
InChIInChI=1S/C13H23N3S/c1-4-11-10-17-13(14-11)16-8-7-12(9-16)15(5-2)6-3/h10,12H,4-9H2,1-3H3
InChIKeyPGLPWFKZWMXCPE-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.63
Rot. Bonds5

About N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine

N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine (PubChem CID 154839168) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
PubChem CID154839168
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCCc1csc(N2CCC(N(CC)CC)C2)n1
InChIInChI=1S/C13H23N3S/c1-4-11-10-17-13(14-11)16-8-7-12(9-16)15(5-2)6-3/h10,12H,4-9H2,1-3H3
InChIKeyPGLPWFKZWMXCPE-UHFFFAOYSA-N
XLogP2.63
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553166
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-(4-bromoazepan-1-yl)-4-ethyl-1,3-thiazole
CID 130978942
(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 164637805
[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 63520639

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine (CID 154839168) is N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine is CCc1csc(N2CCC(N(CC)CC)C2)n1.
What is the InChIKey of N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine?
The InChIKey is PGLPWFKZWMXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-11-10-17-13(14-11)16-8-7-12(9-16)15(5-2)6-3/h10,12H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine?
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 154839168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).