N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C15H27N3S — CID 83221091

IUPACN-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2C(C)CCC2CC)s1
InChIInChI=1S/C15H27N3S/c1-5-9-16-12(4)14-10-17-15(19-14)18-11(3)7-8-13(18)6-2/h10-13,16H,5-9H2,1-4H3
InChIKeyWYBWPXYSHHRCTQ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.97
Rot. Bonds6

About N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 83221091) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID83221091
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2C(C)CCC2CC)s1
InChIInChI=1S/C15H27N3S/c1-5-9-16-12(4)14-10-17-15(19-14)18-11(3)7-8-13(18)6-2/h10-13,16H,5-9H2,1-4H3
InChIKeyWYBWPXYSHHRCTQ-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine
CID 12259645
5-Propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine
CID 86790673
N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500937
5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55111873
5-[1-(ethylamino)ethyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112015
5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55113668
5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750174
5-(1-aminoethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750349
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750613
N-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750620
5-(1-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62751028
5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62751193

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 83221091) is N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(N2C(C)CCC2CC)s1.
What is the InChIKey of N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is WYBWPXYSHHRCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-9-16-12(4)14-10-17-15(19-14)18-11(3)7-8-13(18)6-2/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 83221091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).