N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide

C14H15N5OS — CID 70771830

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cnc2cccnn12
InChIInChI=1S/C14H15N5OS/c1-10-12(21-9-16-10)5-7-18(2)14(20)11-8-15-13-4-3-6-17-19(11)13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeySWUJWHWQCBHUCQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.81
Rot. Bonds4

About N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 70771830) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID70771830
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cnc2cccnn12
InChIInChI=1S/C14H15N5OS/c1-10-12(21-9-16-10)5-7-18(2)14(20)11-8-15-13-4-3-6-17-19(11)13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeySWUJWHWQCBHUCQ-UHFFFAOYSA-N
XLogP1.81
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 70771830) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1ncsc1CCN(C)C(=O)c1cnc2cccnn12.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SWUJWHWQCBHUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-10-12(21-9-16-10)5-7-18(2)14(20)11-8-15-13-4-3-6-17-19(11)13/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 70771830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).