(1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine

C9H15N3S — CID 58803050

IUPAC(1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine
SMILESCN1CCC(C(N)c2nccs2)C1
InChIInChI=1S/C9H15N3S/c1-12-4-2-7(6-12)8(10)9-11-3-5-13-9/h3,5,7-8H,2,4,6,10H2,1H3
InChIKeyPKRZZXPPFILWSB-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.09
Rot. Bonds2

About (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine

(1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 58803050) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine
PubChem CID58803050
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name(1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine
SMILESCN1CCC(C(N)c2nccs2)C1
InChIInChI=1S/C9H15N3S/c1-12-4-2-7(6-12)8(10)9-11-3-5-13-9/h3,5,7-8H,2,4,6,10H2,1H3
InChIKeyPKRZZXPPFILWSB-UHFFFAOYSA-N
XLogP1.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine (CID 58803050) is (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine is CN1CCC(C(N)c2nccs2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is PKRZZXPPFILWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12-4-2-7(6-12)8(10)9-11-3-5-13-9/h3,5,7-8H,2,4,6,10H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine?
(1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 58803050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).