methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate

C13H10N4O3S — CID 10357541

IUPACmethyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate
SMILESCOC(=O)Nc1cn2nc(C(=O)c3cccs3)ccc2n1
InChIInChI=1S/C13H10N4O3S/c1-20-13(19)15-10-7-17-11(14-10)5-4-8(16-17)12(18)9-3-2-6-21-9/h2-7H,1H3,(H,15,19)
InChIKeyVBICHDRYLVBSPC-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.20
Rot. Bonds3

About methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate

methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate (PubChem CID 10357541) has the molecular formula C13H10N4O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate
PubChem CID10357541
Molecular FormulaC13H10N4O3S
Molecular Weight302.32 g/mol
Exact Mass302.05
IUPAC Namemethyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate
SMILESCOC(=O)Nc1cn2nc(C(=O)c3cccs3)ccc2n1
InChIInChI=1S/C13H10N4O3S/c1-20-13(19)15-10-7-17-11(14-10)5-4-8(16-17)12(18)9-3-2-6-21-9/h2-7H,1H3,(H,15,19)
InChIKeyVBICHDRYLVBSPC-UHFFFAOYSA-N
XLogP2.20
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
CID 155548239
methyl 3-(methoxycarbonylamino)-4-(thiophene-2-carbonyl)benzoate
CID 23909478
4-[2-(methoxycarbonylamino)imidazo[1,2-a]pyridin-6-yl]sulfanylbenzoic acid
CID 54095050
2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine
CID 54160371
methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972617
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243302
(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
CID 10333832
N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 58243240
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
N-[2-(thiophene-2-carbonyl)phenyl]acetamide
CID 18987253

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate?
The IUPAC name of methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate (CID 10357541) is methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate?
The canonical SMILES for methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate is COC(=O)Nc1cn2nc(C(=O)c3cccs3)ccc2n1.
What is the InChIKey of methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate?
The InChIKey is VBICHDRYLVBSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c1-20-13(19)15-10-7-17-11(14-10)5-4-8(16-17)12(18)9-3-2-6-21-9/h2-7H,1H3,(H,15,19).
What are the key properties of methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate?
methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate has a molecular weight of 302.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate is sourced from PubChem (CID 10357541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).