N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine

C13H18N4S — CID 72848090

IUPACN,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
SMILESCc1ccc(N(C)Cc2csc(C(C)C)n2)nn1
InChIInChI=1S/C13H18N4S/c1-9(2)13-14-11(8-18-13)7-17(4)12-6-5-10(3)15-16-12/h5-6,8-9H,7H2,1-4H3
InChIKeyRJDDTHRIJXQVOM-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.00
Rot. Bonds4

About N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine

N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine (PubChem CID 72848090) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
PubChem CID72848090
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
SMILESCc1ccc(N(C)Cc2csc(C(C)C)n2)nn1
InChIInChI=1S/C13H18N4S/c1-9(2)13-14-11(8-18-13)7-17(4)12-6-5-10(3)15-16-12/h5-6,8-9H,7H2,1-4H3
InChIKeyRJDDTHRIJXQVOM-UHFFFAOYSA-N
XLogP3.00
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine (CID 72848090) is N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine is Cc1ccc(N(C)Cc2csc(C(C)C)n2)nn1.
What is the InChIKey of N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The InChIKey is RJDDTHRIJXQVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)13-14-11(8-18-13)7-17(4)12-6-5-10(3)15-16-12/h5-6,8-9H,7H2,1-4H3.
What are the key properties of N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine has a molecular weight of 262.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 72848090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).