[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine

C11H14N4S2 — CID 61095837

IUPAC[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
SMILESCc1csc(Sc2nnc(C)c(C)c2CN)n1
InChIInChI=1S/C11H14N4S2/c1-6-5-16-11(13-6)17-10-9(4-12)7(2)8(3)14-15-10/h5H,4,12H2,1-3H3
InChIKeySFVZMCBMWNFDSQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.47
Rot. Bonds3

About [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine

[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine (PubChem CID 61095837) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
PubChem CID61095837
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
SMILESCc1csc(Sc2nnc(C)c(C)c2CN)n1
InChIInChI=1S/C11H14N4S2/c1-6-5-16-11(13-6)17-10-9(4-12)7(2)8(3)14-15-10/h5H,4,12H2,1-3H3
InChIKeySFVZMCBMWNFDSQ-UHFFFAOYSA-N
XLogP2.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 80639950
(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine
CID 61096036
[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 62497494
[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114884648
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
2-(4-chlorophthalazin-1-yl)sulfanyl-4-methyl-1,3-thiazole
CID 55040701
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 63883545
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651358
[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 102818678
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
O-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 131223188

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine (CID 61095837) is [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine is Cc1csc(Sc2nnc(C)c(C)c2CN)n1.
What is the InChIKey of [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine?
The InChIKey is SFVZMCBMWNFDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-6-5-16-11(13-6)17-10-9(4-12)7(2)8(3)14-15-10/h5H,4,12H2,1-3H3.
What are the key properties of [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine is sourced from PubChem (CID 61095837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).