1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine

C11H17N3S — CID 62758722

IUPAC1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine
SMILESc1ncc(CNC2CCN(C3CC3)C2)s1
InChIInChI=1S/C11H17N3S/c1-2-10(1)14-4-3-9(7-14)13-6-11-5-12-8-15-11/h5,8-10,13H,1-4,6-7H2
InChIKeyNMQJXDWVYBFAOW-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.47
Rot. Bonds4

About 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine

1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine (PubChem CID 62758722) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine
PubChem CID62758722
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine
SMILESc1ncc(CNC2CCN(C3CC3)C2)s1
InChIInChI=1S/C11H17N3S/c1-2-10(1)14-4-3-9(7-14)13-6-11-5-12-8-15-11/h5,8-10,13H,1-4,6-7H2
InChIKeyNMQJXDWVYBFAOW-UHFFFAOYSA-N
XLogP1.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine (CID 62758722) is 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine is c1ncc(CNC2CCN(C3CC3)C2)s1.
What is the InChIKey of 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine?
The InChIKey is NMQJXDWVYBFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-10(1)14-4-3-9(7-14)13-6-11-5-12-8-15-11/h5,8-10,13H,1-4,6-7H2.
What are the key properties of 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine?
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine has a molecular weight of 223.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 62758722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).