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

C13H23N3S — CID 62960856

IUPACN-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCCc1csc(N2CCCC2CNC(C)C)n1
InChIInChI=1S/C13H23N3S/c1-4-11-9-17-13(15-11)16-7-5-6-12(16)8-14-10(2)3/h9-10,12,14H,4-8H2,1-3H3
InChIKeyWTCLTNHDLDKJBZ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.67
Rot. Bonds5

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

N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62960856) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62960856
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCCc1csc(N2CCCC2CNC(C)C)n1
InChIInChI=1S/C13H23N3S/c1-4-11-9-17-13(15-11)16-7-5-6-12(16)8-14-10(2)3/h9-10,12,14H,4-8H2,1-3H3
InChIKeyWTCLTNHDLDKJBZ-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 62960856) is N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine is CCc1csc(N2CCCC2CNC(C)C)n1.
What is the InChIKey of N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is WTCLTNHDLDKJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-11-9-17-13(15-11)16-7-5-6-12(16)8-14-10(2)3/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62960856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).