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

C18H28N4OS — CID 71928374

IUPACN-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1ncsc1CCN1CCC(N(C)Cc2ncc(C(C)C)o2)C1
InChIInChI=1S/C18H28N4OS/c1-13(2)16-9-19-18(23-16)11-21(4)15-5-7-22(10-15)8-6-17-14(3)20-12-24-17/h9,12-13,15H,5-8,10-11H2,1-4H3
InChIKeyQNIOMVLLNOOUIZ-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.31
Rot. Bonds7

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

N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928374) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928374
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1ncsc1CCN1CCC(N(C)Cc2ncc(C(C)C)o2)C1
InChIInChI=1S/C18H28N4OS/c1-13(2)16-9-19-18(23-16)11-21(4)15-5-7-22(10-15)8-6-17-14(3)20-12-24-17/h9,12-13,15H,5-8,10-11H2,1-4H3
InChIKeyQNIOMVLLNOOUIZ-UHFFFAOYSA-N
XLogP3.31
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 71928374) is N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is Cc1ncsc1CCN1CCC(N(C)Cc2ncc(C(C)C)o2)C1.
What is the InChIKey of N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is QNIOMVLLNOOUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-13(2)16-9-19-18(23-16)11-21(4)15-5-7-22(10-15)8-6-17-14(3)20-12-24-17/h9,12-13,15H,5-8,10-11H2,1-4H3.
What are the key properties of N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 348.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).