3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide

C11H13N5S2 — CID 80511340

IUPAC3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide
SMILESCc1nc(CN(C)c2nnccc2C(N)=S)cs1
InChIInChI=1S/C11H13N5S2/c1-7-14-8(6-18-7)5-16(2)11-9(10(12)17)3-4-13-15-11/h3-4,6H,5H2,1-2H3,(H2,12,17)
InChIKeyZDTZSZUNSUHZCN-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.51
Rot. Bonds4

About 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide

3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide (PubChem CID 80511340) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide
PubChem CID80511340
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide
SMILESCc1nc(CN(C)c2nnccc2C(N)=S)cs1
InChIInChI=1S/C11H13N5S2/c1-7-14-8(6-18-7)5-16(2)11-9(10(12)17)3-4-13-15-11/h3-4,6H,5H2,1-2H3,(H2,12,17)
InChIKeyZDTZSZUNSUHZCN-UHFFFAOYSA-N
XLogP1.51
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 114288408
3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide
CID 80511976
ethyl 3-[(4-carbamothioylpyridazin-3-yl)-methylamino]propanoate
CID 80511255
2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-methylacetamide
CID 80511917
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 55207392
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
3-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridazine-4-carbothioamide
CID 80511296
5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811601
2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 62948030
N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81277355
6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide
CID 75376012

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide (CID 80511340) is 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide is Cc1nc(CN(C)c2nnccc2C(N)=S)cs1.
What is the InChIKey of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide?
The InChIKey is ZDTZSZUNSUHZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-7-14-8(6-18-7)5-16(2)11-9(10(12)17)3-4-13-15-11/h3-4,6H,5H2,1-2H3,(H2,12,17).
What are the key properties of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide?
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide has a molecular weight of 279.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 80511340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).