3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide

C11H13N5S2 — CID 113387313

IUPAC3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide
SMILESCc1cnc(C(C)Nc2nnccc2C(N)=S)s1
InChIInChI=1S/C11H13N5S2/c1-6-5-13-11(18-6)7(2)15-10-8(9(12)17)3-4-14-16-10/h3-5,7H,1-2H3,(H2,12,17)(H,15,16)
InChIKeyDDQPEHWIAXPXQU-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.05
Rot. Bonds4

About 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide

3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide (PubChem CID 113387313) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide
PubChem CID113387313
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide
SMILESCc1cnc(C(C)Nc2nnccc2C(N)=S)s1
InChIInChI=1S/C11H13N5S2/c1-6-5-13-11(18-6)7(2)15-10-8(9(12)17)3-4-14-16-10/h3-5,7H,1-2H3,(H2,12,17)(H,15,16)
InChIKeyDDQPEHWIAXPXQU-UHFFFAOYSA-N
XLogP2.05
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbothioamide
CID 113387312
3-[1-(3-chlorophenyl)ethylamino]pyridazine-4-carbothioamide
CID 80511406
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-methylpropanamide
CID 80512272
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide
CID 80511243
3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide
CID 80511090
3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80516783
3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide
CID 80511242
3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
CID 83016391
2-amino-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113387502
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide
CID 80511264
2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 103437286
6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113387490

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide (CID 113387313) is 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide is Cc1cnc(C(C)Nc2nnccc2C(N)=S)s1.
What is the InChIKey of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide?
The InChIKey is DDQPEHWIAXPXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-6-5-13-11(18-6)7(2)15-10-8(9(12)17)3-4-14-16-10/h3-5,7H,1-2H3,(H2,12,17)(H,15,16).
What are the key properties of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide?
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide has a molecular weight of 279.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide is sourced from PubChem (CID 113387313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).