[4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone

C10H13N3OS — CID 71180882

IUPAC[4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
SMILESNCc1ccnc(C(=O)N2CCSC2)c1
InChIInChI=1S/C10H13N3OS/c11-6-8-1-2-12-9(5-8)10(14)13-3-4-15-7-13/h1-2,5H,3-4,6-7,11H2
InChIKeyMCAVIKRCRAJVCH-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.69
Rot. Bonds2

About [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone

[4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 71180882) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID71180882
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
SMILESNCc1ccnc(C(=O)N2CCSC2)c1
InChIInChI=1S/C10H13N3OS/c11-6-8-1-2-12-9(5-8)10(14)13-3-4-15-7-13/h1-2,5H,3-4,6-7,11H2
InChIKeyMCAVIKRCRAJVCH-UHFFFAOYSA-N
XLogP0.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone (CID 71180882) is [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone is NCc1ccnc(C(=O)N2CCSC2)c1.
What is the InChIKey of [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is MCAVIKRCRAJVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-6-8-1-2-12-9(5-8)10(14)13-3-4-15-7-13/h1-2,5H,3-4,6-7,11H2.
What are the key properties of [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
[4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 223.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-pyridinyl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 71180882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).