N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine

C10H17N3S — CID 79740776

IUPACN-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
SMILESCCC(NC1CCNC1)c1nccs1
InChIInChI=1S/C10H17N3S/c1-2-9(10-12-5-6-14-10)13-8-3-4-11-7-8/h5-6,8-9,11,13H,2-4,7H2,1H3
InChIKeyVWBASAFWJQXMNQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.55
Rot. Bonds4

About N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine

N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine (PubChem CID 79740776) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
PubChem CID79740776
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
SMILESCCC(NC1CCNC1)c1nccs1
InChIInChI=1S/C10H17N3S/c1-2-9(10-12-5-6-14-10)13-8-3-4-11-7-8/h5-6,8-9,11,13H,2-4,7H2,1H3
InChIKeyVWBASAFWJQXMNQ-UHFFFAOYSA-N
XLogP1.55
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine (CID 79740776) is N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine is CCC(NC1CCNC1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine?
The InChIKey is VWBASAFWJQXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-9(10-12-5-6-14-10)13-8-3-4-11-7-8/h5-6,8-9,11,13H,2-4,7H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine?
N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 79740776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).