1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine

C12H19N3S — CID 115879255

IUPAC1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(C2CC2)C1)c1cscn1
InChIInChI=1S/C12H19N3S/c1-9(12-7-16-8-13-12)14-10-4-5-15(6-10)11-2-3-11/h7-11,14H,2-6H2,1H3
InChIKeyWRDMAHBXYRXDRG-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.03
Rot. Bonds4

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

1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine (PubChem CID 115879255) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine
PubChem CID115879255
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(C2CC2)C1)c1cscn1
InChIInChI=1S/C12H19N3S/c1-9(12-7-16-8-13-12)14-10-4-5-15(6-10)11-2-3-11/h7-11,14H,2-6H2,1H3
InChIKeyWRDMAHBXYRXDRG-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 115879382
1-cyclopropyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 115717113
1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115878917
4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115879066
3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 104584851
N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 115879016
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
CID 103881440
1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 55152081
1-cyclopropyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 106757719
2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 115891364

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine (CID 115879255) is 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine is CC(NC1CCN(C2CC2)C1)c1cscn1.
What is the InChIKey of 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is WRDMAHBXYRXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(12-7-16-8-13-12)14-10-4-5-15(6-10)11-2-3-11/h7-11,14H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115879255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).