2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide

C17H16N4OS3 — CID 5253122

IUPAC2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide
SMILESS=C(Nc1ccccn1)c1sc(N2CCOCC2)nc1-c1cccs1
InChIInChI=1S/C17H16N4OS3/c23-16(19-13-5-1-2-6-18-13)15-14(12-4-3-11-24-12)20-17(25-15)21-7-9-22-10-8-21/h1-6,11H,7-10H2,(H,18,19,23)
InChIKeyPOWHAJMREGGJNO-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.89
Rot. Bonds4

About 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide

2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide (PubChem CID 5253122) has the molecular formula C17H16N4OS3 and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide
PubChem CID5253122
Molecular FormulaC17H16N4OS3
Molecular Weight388.54 g/mol
Exact Mass388.05
IUPAC Name2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide
SMILESS=C(Nc1ccccn1)c1sc(N2CCOCC2)nc1-c1cccs1
InChIInChI=1S/C17H16N4OS3/c23-16(19-13-5-1-2-6-18-13)15-14(12-4-3-11-24-12)20-17(25-15)21-7-9-22-10-8-21/h1-6,11H,7-10H2,(H,18,19,23)
InChIKeyPOWHAJMREGGJNO-UHFFFAOYSA-N
XLogP3.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide (CID 5253122) is 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide is S=C(Nc1ccccn1)c1sc(N2CCOCC2)nc1-c1cccs1.
What is the InChIKey of 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The InChIKey is POWHAJMREGGJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS3/c23-16(19-13-5-1-2-6-18-13)15-14(12-4-3-11-24-12)20-17(25-15)21-7-9-22-10-8-21/h1-6,11H,7-10H2,(H,18,19,23).
What are the key properties of 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide has a molecular weight of 388.54 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 5253122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).