2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide

C14H29N6PS2 — CID 5112064

IUPAC2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide
SMILESCCN(CC)c1ncc(C(=S)N=P(N(C)C)(N(C)C)N(C)C)s1
InChIInChI=1S/C14H29N6PS2/c1-9-20(10-2)14-15-11-12(23-14)13(22)16-21(17(3)4,18(5)6)19(7)8/h11H,9-10H2,1-8H3
InChIKeySWBOILNPPQSBSF-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.30
Rot. Bonds7

About 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide

2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide (PubChem CID 5112064) has the molecular formula C14H29N6PS2 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide
PubChem CID5112064
Molecular FormulaC14H29N6PS2
Molecular Weight376.54 g/mol
Exact Mass376.16
IUPAC Name2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide
SMILESCCN(CC)c1ncc(C(=S)N=P(N(C)C)(N(C)C)N(C)C)s1
InChIInChI=1S/C14H29N6PS2/c1-9-20(10-2)14-15-11-12(23-14)13(22)16-21(17(3)4,18(5)6)19(7)8/h11H,9-10H2,1-8H3
InChIKeySWBOILNPPQSBSF-UHFFFAOYSA-N
XLogP3.30
TPSA38.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide (CID 5112064) is 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide is CCN(CC)c1ncc(C(=S)N=P(N(C)C)(N(C)C)N(C)C)s1.
What is the InChIKey of 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide?
The InChIKey is SWBOILNPPQSBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N6PS2/c1-9-20(10-2)14-15-11-12(23-14)13(22)16-21(17(3)4,18(5)6)19(7)8/h11H,9-10H2,1-8H3.
What are the key properties of 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide?
2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide has a molecular weight of 376.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[tris(dimethylamino)-λ5-phosphanylidene]-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 5112064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).