6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide

C12H14ClN5OS — CID 75376012

IUPAC6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide
SMILESCCc1nc(CN(C)c2nnc(Cl)cc2C(N)=O)cs1
InChIInChI=1S/C12H14ClN5OS/c1-3-10-15-7(6-20-10)5-18(2)12-8(11(14)19)4-9(13)16-17-12/h4,6H,3,5H2,1-2H3,(H2,14,19)
InChIKeyPBPRBQWMEQOKJQ-UHFFFAOYSA-N
MW311.80 g/mol
LogP1.88
Rot. Bonds5

About 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide

6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide (PubChem CID 75376012) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide
PubChem CID75376012
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC Name6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide
SMILESCCc1nc(CN(C)c2nnc(Cl)cc2C(N)=O)cs1
InChIInChI=1S/C12H14ClN5OS/c1-3-10-15-7(6-20-10)5-18(2)12-8(11(14)19)4-9(13)16-17-12/h4,6H,3,5H2,1-2H3,(H2,14,19)
InChIKeyPBPRBQWMEQOKJQ-UHFFFAOYSA-N
XLogP1.88
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide
CID 133340499
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide
CID 80511340
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99782514
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423
N-(5-chloro-2-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779237
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
3,4,5-triethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
CID 47871180
2,4,5-trichloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 62070827
2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 18759069
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115592141
3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119125701

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide (CID 75376012) is 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide is CCc1nc(CN(C)c2nnc(Cl)cc2C(N)=O)cs1.
What is the InChIKey of 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide?
The InChIKey is PBPRBQWMEQOKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c1-3-10-15-7(6-20-10)5-18(2)12-8(11(14)19)4-9(13)16-17-12/h4,6H,3,5H2,1-2H3,(H2,14,19).
What are the key properties of 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide?
6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide has a molecular weight of 311.80 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]pyridazine-4-carboxamide is sourced from PubChem (CID 75376012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).