6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide

C11H11ClN4OS — CID 61052923

IUPAC6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
SMILESCc1ncc(CN(C)C(=O)c2ccc(Cl)nn2)s1
InChIInChI=1S/C11H11ClN4OS/c1-7-13-5-8(18-7)6-16(2)11(17)9-3-4-10(12)15-14-9/h3-5H,6H2,1-2H3
InChIKeyVOTQKMAIVKYKLH-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.17
Rot. Bonds3

About 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide

6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide (PubChem CID 61052923) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
PubChem CID61052923
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
SMILESCc1ncc(CN(C)C(=O)c2ccc(Cl)nn2)s1
InChIInChI=1S/C11H11ClN4OS/c1-7-13-5-8(18-7)6-16(2)11(17)9-3-4-10(12)15-14-9/h3-5H,6H2,1-2H3
InChIKeyVOTQKMAIVKYKLH-UHFFFAOYSA-N
XLogP2.17
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US9963434, Table 12.77
CID 117977639
(5-chloro-2-pyridinyl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 164631743
5-chloro-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-2-carboxamide
CID 71983786
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 117977698
2-[(2-Methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604360
N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 140748315
N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 140748325
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 140748328
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide
CID 140748342
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 141640881
2-(6-chloro-3-pyridinyl)-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879071

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide (CID 61052923) is 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide is Cc1ncc(CN(C)C(=O)c2ccc(Cl)nn2)s1.
What is the InChIKey of 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is VOTQKMAIVKYKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-7-13-5-8(18-7)6-16(2)11(17)9-3-4-10(12)15-14-9/h3-5H,6H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide?
6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61052923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).