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

C10H11N5S2 — CID 80511243

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide
SMILESCc1ncc(CNc2nnccc2C(N)=S)s1
InChIInChI=1S/C10H11N5S2/c1-6-12-4-7(17-6)5-13-10-8(9(11)16)2-3-14-15-10/h2-4H,5H2,1H3,(H2,11,16)(H,13,15)
InChIKeyKCZMTCPWYQASPW-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.49
Rot. Bonds4

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

3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide (PubChem CID 80511243) has the molecular formula C10H11N5S2 and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide
PubChem CID80511243
Molecular FormulaC10H11N5S2
Molecular Weight265.37 g/mol
Exact Mass265.05
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide
SMILESCc1ncc(CNc2nnccc2C(N)=S)s1
InChIInChI=1S/C10H11N5S2/c1-6-12-4-7(17-6)5-13-10-8(9(11)16)2-3-14-15-10/h2-4H,5H2,1H3,(H2,11,16)(H,13,15)
InChIKeyKCZMTCPWYQASPW-UHFFFAOYSA-N
XLogP1.49
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.49
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

3-[(5-bromothiophen-2-yl)methylamino]pyridazine-4-carbothioamide
CID 80511772
2,3-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenecarbothioamide
CID 107934717
3-[(3-methyl-4-pyridinyl)methylamino]pyridazine-4-carbothioamide
CID 114700515
5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenecarbothioamide
CID 62493698
3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide
CID 114139207
3-[(4-chlorophenyl)methylamino]pyridazine-4-carbothioamide
CID 80512063
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
3-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide
CID 80511264
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide
CID 113387313
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 55107887

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide (CID 80511243) is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide is Cc1ncc(CNc2nnccc2C(N)=S)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide?
The InChIKey is KCZMTCPWYQASPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S2/c1-6-12-4-7(17-6)5-13-10-8(9(11)16)2-3-14-15-10/h2-4H,5H2,1H3,(H2,11,16)(H,13,15).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide?
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide has a molecular weight of 265.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridazine-4-carbothioamide is sourced from PubChem (CID 80511243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).