N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C15H27N3S — CID 106603240

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCc1nc(C)c(C(C)N(CC2CCCN2)C(C)C)s1
InChIInChI=1S/C15H27N3S/c1-10(2)18(9-14-7-6-8-16-14)12(4)15-11(3)17-13(5)19-15/h10,12,14,16H,6-9H2,1-5H3
InChIKeyFPAHHMJHLRQDFE-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106603240) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106603240
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCc1nc(C)c(C(C)N(CC2CCCN2)C(C)C)s1
InChIInChI=1S/C15H27N3S/c1-10(2)18(9-14-7-6-8-16-14)12(4)15-11(3)17-13(5)19-15/h10,12,14,16H,6-9H2,1-5H3
InChIKeyFPAHHMJHLRQDFE-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106603240) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is Cc1nc(C)c(C(C)N(CC2CCCN2)C(C)C)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is FPAHHMJHLRQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-10(2)18(9-14-7-6-8-16-14)12(4)15-11(3)17-13(5)19-15/h10,12,14,16H,6-9H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106603240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).