N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine

C13H21N3S — CID 104771740

IUPACN-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1csc(C2C(CNC3CC3)CCN2C)n1
InChIInChI=1S/C13H21N3S/c1-9-8-17-13(15-9)12-10(5-6-16(12)2)7-14-11-3-4-11/h8,10-12,14H,3-7H2,1-2H3
InChIKeyIKIVAUWXWOHMPK-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.20
Rot. Bonds4

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

N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 104771740) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID104771740
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1csc(C2C(CNC3CC3)CCN2C)n1
InChIInChI=1S/C13H21N3S/c1-9-8-17-13(15-9)12-10(5-6-16(12)2)7-14-11-3-4-11/h8,10-12,14H,3-7H2,1-2H3
InChIKeyIKIVAUWXWOHMPK-UHFFFAOYSA-N
XLogP2.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 104771740) is N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine is Cc1csc(C2C(CNC3CC3)CCN2C)n1.
What is the InChIKey of N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is IKIVAUWXWOHMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-8-17-13(15-9)12-10(5-6-16(12)2)7-14-11-3-4-11/h8,10-12,14H,3-7H2,1-2H3.
What are the key properties of N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 251.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104771740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).